data_1j0f_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 1j0f _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CD1' HG23 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' OE1' ' CB ' ' A' ' 15' ' ' SER . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' ASP . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 14' ' ' TYR . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 93' ' ' LEU . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 84' ' ' PHE . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 96' ' ' PHE . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' LYS . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' CG ' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CG2' HG13 ' A' ' 88' ' ' VAL . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 ' CD1' HD23 ' A' ' 93' ' ' LEU . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.526 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 27' ' ' GLN . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.457 HG13 ' CG2' ' A' ' 34' ' ' ILE . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 40' ' ' ILE . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 71' ' ' ILE . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 41' ' ' GLN . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ALA . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.491 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' HIS . 2.9 m120 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 17.7 m-70 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CD1' HG23 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD2' ' CG2' ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 41' ' ' GLN . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CD1' ' A' ' 14' ' ' TYR . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.5 t-20 -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.3 m-20 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.497 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.441 ' O ' ' CE1' ' A' ' 96' ' ' PHE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 97' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 96' ' ' PHE . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HB3' ' CD ' ' A' ' 69' ' ' PRO . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 41' ' ' GLN . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HD23 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 97' ' ' LEU . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 96' ' ' PHE . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CD1' HG23 ' A' ' 72' ' ' VAL . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 19' ' ' THR . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.409 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 41' ' ' GLN . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 HG22 ' CD2' ' A' ' 97' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.539 HG23 ' CD1' ' A' ' 14' ' ' TYR . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' ASN . 9.4 t-20 -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CE1' HD11 ' A' ' 93' ' ' LEU . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.41 ' CG2' HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 87' ' ' ALA . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 84' ' ' PHE . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 96' ' ' PHE . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 57' ' ' MET . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.441 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CG1' HD21 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CG1' ' A' ' 45' ' ' VAL . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.541 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 m120 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' GLU . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 41' ' ' GLN . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 77' ' ' TYR . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.431 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 61' ' ' ALA . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 96' ' ' PHE . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.447 HG23 ' CD1' ' A' ' 44' ' ' LEU . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 53' ' ' LEU . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.492 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 14' ' ' TYR . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.7 t-20 -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.439 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 84' ' ' PHE . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' A' ' 97' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 96' ' ' PHE . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.427 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 41' ' ' GLN . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 40' ' ' ILE . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.465 ' HB2' ' CG2' ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 53' ' ' LEU . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.1 t-20 -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.461 ' CG ' ' HE2' ' A' ' 98' ' ' LYS . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 84' ' ' PHE . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 97' ' ' LEU . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 96' ' ' PHE . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 45' ' ' VAL . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 14' ' ' TYR . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.522 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.423 ' CG2' HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 97' ' ' LEU . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 96' ' ' PHE . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CD1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' OG1' ' A' ' 32' ' ' THR . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' HD21 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 29' ' ' SER . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 84' ' ' PHE . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 11.1 t-20 -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' GLU . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.435 HG23 ' CE2' ' A' ' 84' ' ' PHE . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD1' ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 97' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 96' ' ' PHE . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' GLU . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' ASP . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 84' ' ' PHE . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 4.0 t-20 -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 HG23 ' CE1' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.57 HG23 ' CE1' ' A' ' 84' ' ' PHE . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.5 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 72' ' ' VAL . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' N ' HD21 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 97' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p-10 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.468 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CD2' HD23 ' A' ' 97' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 96' ' ' PHE . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' ASP . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 41' ' ' GLN . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 48' ' ' SER . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ALA . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.468 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 84' ' ' PHE . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.405 HD12 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' CD2' ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 44' ' ' LEU . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 41' ' ' GLN . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 49' ' ' GLN . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 53' ' ' LEU . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.493 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.469 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.403 ' O ' ' CE1' ' A' ' 96' ' ' PHE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 88' ' ' VAL . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 84' ' ' PHE . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 84' ' ' PHE . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CD2' HD22 ' A' ' 97' ' ' LEU . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 96' ' ' PHE . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.417 ' OG ' ' CD1' ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' CG2' ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.449 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.476 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.523 ' CG2' ' CD1' ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 97' ' ' LEU . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 96' ' ' PHE . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.543 ' CD1' HG22 ' A' ' 72' ' ' VAL . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 47' ' ' ILE . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 19' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 29' ' ' SER . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 14' ' ' TYR . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' HIS . 4.5 t-20 -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.488 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG22 ' CE2' ' A' ' 84' ' ' PHE . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' HD23 ' A' ' 97' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD23 ' CD2' ' A' ' 96' ' ' PHE . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 57' ' ' MET . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.554 ' CD2' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ARG . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.51 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.488 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 10.4 t-20 -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 73' ' ' ASN . 28.2 m-70 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.51 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.478 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 97' ' ' LEU . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.487 HD21 ' CD2' ' A' ' 96' ' ' PHE . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CB ' ' ND2' ' A' ' 73' ' ' ASN . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 99' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' CE1' HG22 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.459 ' OG ' ' CD1' ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD2' ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 8.8 t-20 -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.6 t-20 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.515 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 97' ' ' LEU . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 96' ' ' PHE . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 99' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -162.23 118.62 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.793 . . . . 0.0 109.996 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.11 152.44 46.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.22 -103.18 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.82 176.25 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.52 167.64 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 p -126.35 151.71 47.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -101.07 113.12 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -123.95 137.33 54.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.71 77.32 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CD1' HG23 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' OE1' ' CB ' ' A' ' 15' ' ' SER . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' ASP . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 14' ' ' TYR . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 93' ' ' LEU . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 84' ' ' PHE . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 96' ' ' PHE . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -166.26 158.58 14.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 140.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.86 -137.19 1.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.34 118.62 36.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.59 85.94 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -80.79 146.85 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.66 164.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -147.21 86.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.81 71.5 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' LYS . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' CG ' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CG2' HG13 ' A' ' 88' ' ' VAL . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 ' CD1' HD23 ' A' ' 93' ' ' LEU . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.526 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 27' ' ' GLN . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.457 HG13 ' CG2' ' A' ' 34' ' ' ILE . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 40' ' ' ILE . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 71' ' ' ILE . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -68.89 151.77 46.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.21 130.18 42.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.96 -127.94 45.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.51 161.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.22 69.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.0 p -134.42 146.49 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 133.9 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -140.81 125.45 17.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.66 69.53 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 41' ' ' GLN . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ALA . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' HIS . 2.9 m120 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 17.7 m-70 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 116.53 26.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.5 113.83 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 150.05 42.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.77 134.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.99 166.3 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -133.64 -68.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.03 97.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -129.25 165.3 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.14 69.12 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CD1' HG23 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD2' ' CG2' ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 41' ' ' GLN . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CD1' ' A' ' 14' ' ' TYR . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.5 t-20 -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.3 m-20 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.497 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.441 ' O ' ' CE1' ' A' ' 96' ' ' PHE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 97' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 96' ' ' PHE . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -172.57 108.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.05 178.75 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 144.97 10.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -171.19 133.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 179.86 81.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.8 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -173.63 144.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.84 78.8 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HB3' ' CD ' ' A' ' 69' ' ' PRO . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 41' ' ' GLN . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HD23 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 97' ' ' LEU . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 96' ' ' PHE . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t 59.85 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -101.89 162.23 13.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 125.74 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.33 150.42 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 99.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.8 p -124.33 144.84 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -131.28 144.65 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -138.61 155.46 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.83 75.08 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CD1' HG23 ' A' ' 72' ' ' VAL . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 19' ' ' THR . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.409 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 41' ' ' GLN . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 HG22 ' CD2' ' A' ' 97' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.539 HG23 ' CD1' ' A' ' 14' ' ' TYR . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' ASN . 9.4 t-20 -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CE1' HD11 ' A' ' 93' ' ' LEU . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.41 ' CG2' HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 87' ' ' ALA . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 84' ' ' PHE . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 96' ' ' PHE . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 93.94 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.04 147.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.19 -112.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 112.04 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.1 122.01 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m -126.91 63.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -147.47 119.82 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -142.1 -53.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.08 63.55 3.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 57' ' ' MET . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' OE1' ' CG2' ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CG1' HD21 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CG1' ' A' ' 45' ' ' VAL . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.541 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 m120 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -126.55 110.79 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 74.53 -59.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -169.88 35.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.86 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.74 112.74 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -127.2 141.17 51.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.28 121.58 20.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.3 p -144.85 160.2 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.11 70.74 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' GLU . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 41' ' ' GLN . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 77' ' ' TYR . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.431 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 61' ' ' ALA . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 96' ' ' PHE . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.43 136.83 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.97 164.47 25.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -146.89 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.0 -61.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.63 141.91 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 m -109.85 114.95 28.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.82 116.22 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -146.64 134.09 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.26 71.07 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.447 HG23 ' CD1' ' A' ' 44' ' ' LEU . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 53' ' ' LEU . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.492 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 14' ' ' TYR . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.7 t-20 -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.439 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 84' ' ' PHE . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' A' ' 97' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 96' ' ' PHE . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -60.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 140.11 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -169.97 12.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.45 -67.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 75.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -111.76 98.44 7.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.23 106.51 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -146.24 140.33 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.83 74.77 0.71 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.427 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 41' ' ' GLN . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 40' ' ' ILE . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.465 ' HB2' ' CG2' ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 53' ' ' LEU . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.1 t-20 -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.461 ' CG ' ' HE2' ' A' ' 98' ' ' LYS . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 84' ' ' PHE . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 97' ' ' LEU . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 96' ' ' PHE . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 148.03 42.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.83 107.42 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.06 167.59 42.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.88 136.62 47.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.4 82.2 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.5 p -119.85 144.0 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.78 150.45 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -168.24 142.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.2 92.15 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 45' ' ' VAL . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 14' ' ' TYR . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.522 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.423 ' CG2' HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 97' ' ' LEU . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 96' ' ' PHE . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.59 140.16 24.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -94.96 151.26 19.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -103.81 2.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.43 129.73 6.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.93 133.49 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 t -68.24 142.81 55.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.57 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 m -111.54 143.75 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.74 77.31 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CD1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' OG1' ' A' ' 32' ' ' THR . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' HD21 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 29' ' ' SER . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 84' ' ' PHE . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 11.1 t-20 -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' GLU . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.435 HG23 ' CE2' ' A' ' 84' ' ' PHE . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD1' ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 97' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 96' ' ' PHE . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.29 106.68 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.946 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.51 147.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.55 121.57 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.91 158.92 25.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.38 81.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -100.35 59.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 126.77 28.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -168.09 134.54 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.77 74.31 2.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' GLU . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' ASP . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 84' ' ' PHE . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 4.0 t-20 -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 HG23 ' CE1' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.57 HG23 ' CE1' ' A' ' 84' ' ' PHE . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.5 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 65.1 153.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.0 93.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 132.34 5.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.63 155.96 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.85 162.53 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.9 m -131.39 -60.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mtp -106.07 147.71 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -122.33 104.29 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.92 84.11 0.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 72' ' ' VAL . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' N ' HD21 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 97' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p-10 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.468 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CD2' HD23 ' A' ' 97' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 96' ' ' PHE . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -154.36 168.97 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 81.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -132.61 3.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.56 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.89 92.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -162.98 124.83 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.19 117.14 29.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.6 p -144.78 157.54 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.18 81.3 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' ASP . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 41' ' ' GLN . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 48' ' ' SER . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ALA . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.468 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 84' ' ' PHE . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.405 HD12 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.59 86.68 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.056 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -120.26 115.4 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.13 -110.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.48 73.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.73 . . . . 0.0 109.245 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.78 163.07 29.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -137.24 143.18 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.67 103.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -137.33 120.12 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.92 76.61 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' CD2' ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' VAL . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 44' ' ' LEU . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 41' ' ' GLN . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 49' ' ' GLN . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 53' ' ' LEU . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.493 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.469 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' O ' ' CE1' ' A' ' 96' ' ' PHE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 88' ' ' VAL . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 84' ' ' PHE . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 84' ' ' PHE . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CD2' HD22 ' A' ' 97' ' ' LEU . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 96' ' ' PHE . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -152.06 103.75 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.01 -59.46 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.0 124.07 6.98 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.05 78.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.98 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -126.6 86.59 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 146.25 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 p -172.84 160.71 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.54 79.18 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.417 ' OG ' ' CD1' ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' CG2' ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.476 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.523 ' CG2' ' CD1' ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 97' ' ' LEU . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 96' ' ' PHE . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -132.84 153.04 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -141.81 155.04 45.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.51 -70.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.46 162.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -107.64 175.99 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 t -162.04 119.93 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mtm -98.66 92.94 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -106.29 144.67 32.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.59 75.15 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.543 ' CD1' HG22 ' A' ' 72' ' ' VAL . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 47' ' ' ILE . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 19' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 29' ' ' SER . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' ARG . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 14' ' ' TYR . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' HIS . 4.5 t-20 -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.488 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG22 ' CE2' ' A' ' 84' ' ' PHE . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD1' ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' HD23 ' A' ' 97' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 HD23 ' CD2' ' A' ' 96' ' ' PHE . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -97.51 97.88 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -151.03 85.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.55 53.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.32 106.92 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.39 144.68 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -25.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtt 51.34 85.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -108.61 162.56 14.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.08 74.04 0.45 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 57' ' ' MET . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.554 ' CD2' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ARG . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.51 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 10.4 t-20 -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 73' ' ' ASN . 28.2 m-70 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.51 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.478 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 97' ' ' LEU . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.487 HD21 ' CD2' ' A' ' 96' ' ' PHE . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CB ' ' ND2' ' A' ' 73' ' ' ASN . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 99' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -165.31 85.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 162.95 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 127.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.22 120.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.23 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.01 144.6 32.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.71 157.78 44.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.69 155.48 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.92 72.87 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' CE1' HG22 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.459 ' OG ' ' CD1' ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD2' ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 8.8 t-20 -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.6 t-20 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.515 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 97' ' ' LEU . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 96' ' ' PHE . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 99' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 28' ' ' GLN . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 32' ' ' THR . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 27' ' ' GLN . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' GLN . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE2' ' A' ' 84' ' ' PHE . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 40' ' ' ILE . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.652 HD12 HD23 ' A' ' 35' ' ' LEU . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.655 ' HE1' HD12 ' A' ' 44' ' ' LEU . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' CG1' HD22 ' A' ' 53' ' ' LEU . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 71' ' ' ILE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 93' ' ' LEU . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' THR . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 90' ' ' GLN . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 88' ' ' VAL . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 47' ' ' ILE . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 28' ' ' GLN . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' THR . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 84' ' ' PHE . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.615 ' HE1' HD12 ' A' ' 44' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HD11 ' HB ' ' A' ' 16' ' ' THR . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CB ' ' A' ' 50' ' ' ASP . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 71' ' ' ILE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HD2' HG23 ' A' ' 31' ' ' VAL . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.613 ' HB2' HD13 ' A' ' 71' ' ' ILE . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 93' ' ' LEU . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD22 HG22 ' A' ' 88' ' ' VAL . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 73' ' ' ASN . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 35' ' ' LEU . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 21' ' ' SER . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' THR . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.805 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 69' ' ' PRO . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' GLN . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 40' ' ' ILE . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 11' ' ' LEU . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 53' ' ' LEU . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 53' ' ' LEU . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.728 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.55 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 84' ' ' PHE . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.578 HD22 HD11 ' A' ' 11' ' ' LEU . 2.4 m-80 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 12.2 m80 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.671 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' THR . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 90' ' ' GLN . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.807 HD13 HG23 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.671 ' HE1' HD23 ' A' ' 83' ' ' LEU . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 73' ' ' ASN . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.011 HG22 ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD2' HG23 ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.011 ' OE1' HG22 ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 27' ' ' GLN . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 28' ' ' GLN . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.684 ' CG1' HD22 ' A' ' 53' ' ' LEU . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.569 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.684 HD22 ' CG1' ' A' ' 45' ' ' VAL . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.593 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 76' ' ' HIS . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 3.0 m120 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.613 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 71' ' ' ILE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.6 HD23 ' HE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.6 ' HE1' HD23 ' A' ' 83' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 93' ' ' LEU . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 72' ' ' VAL . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 44' ' ' LEU . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.866 HG22 ' OE1' ' A' ' 28' ' ' GLN . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.866 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.793 ' CG2' HD21 ' A' ' 44' ' ' LEU . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 40' ' ' ILE . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 35' ' ' LEU . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HD23 ' A' ' 44' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.748 ' CG1' HD22 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD22 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.423 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.858 HG23 HD13 ' A' ' 93' ' ' LEU . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.858 HD13 HG23 ' A' ' 88' ' ' VAL . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' LEU . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.607 ' OG ' HD11 ' A' ' 44' ' ' LEU . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.032 HG22 ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.032 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG23 ' HD2' ' A' ' 81' ' ' TYR . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 40' ' ' ILE . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 35' ' ' LEU . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.494 ' HE1' HD23 ' A' ' 44' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.585 ' O ' HD13 ' A' ' 53' ' ' LEU . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.763 HG23 HD11 ' A' ' 11' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' HIS . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.075 HG22 HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 92' ' ' THR . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 90' ' ' GLN . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.075 HD22 HG22 ' A' ' 88' ' ' VAL . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.636 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.001 HG22 ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.001 ' OE1' HG22 ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HG2' ' A' ' 69' ' ' PRO . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.522 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.695 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 50' ' ' ASP . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.542 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 m120 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' VAL . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' PHE . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.78 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.524 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 27' ' ' GLN . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 40' ' ' ILE . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 35' ' ' LEU . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.73 ' HE1' HD12 ' A' ' 44' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.584 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 46' ' ' ASP . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 93' ' ' LEU . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 88' ' ' VAL . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.795 ' CD1' HD22 ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 99' ' ' LEU . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 25' ' ' LYS . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD2' HG23 ' A' ' 19' ' ' THR . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' THR . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 27' ' ' GLN . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' GLN . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 40' ' ' ILE . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 35' ' ' LEU . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.561 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' SG ' ' A' ' 78' ' ' CYS . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 71' ' ' ILE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.059 HG22 HD22 ' A' ' 93' ' ' LEU . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 92' ' ' THR . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' GLN . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.059 HD22 HG22 ' A' ' 88' ' ' VAL . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.441 HG23 ' HB ' ' A' ' 19' ' ' THR . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 48' ' ' SER . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 16' ' ' THR . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 44' ' ' LEU . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 38' ' ' LYS . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.74 ' HB2' HG22 ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.89 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 11' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' O ' HG12 ' A' ' 85' ' ' VAL . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 HD22 ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.887 HD22 HG22 ' A' ' 88' ' ' VAL . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' OG ' ' A' ' 15' ' ' SER . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' HG12 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' THR . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' GLN . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.653 HG21 HD11 ' A' ' 44' ' ' LEU . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 35' ' ' LEU . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.673 ' HE1' HD12 ' A' ' 44' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.673 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.901 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.901 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.534 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.84 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.84 HG22 ' OE1' ' A' ' 28' ' ' GLN . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.84 ' OE1' HG22 ' A' ' 24' ' ' ILE . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG12 HD22 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.51 HG21 HD11 ' A' ' 44' ' ' LEU . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 31' ' ' VAL . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 50' ' ' ASP . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.3 t-20 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 66' ' ' ALA . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.543 ' SG ' HG22 ' A' ' 71' ' ' ILE . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.871 ' CE1' HD11 ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' LEU . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.523 ' HE1' HD23 ' A' ' 83' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.913 HG22 ' OE1' ' A' ' 28' ' ' GLN . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.913 ' OE1' HG22 ' A' ' 24' ' ' ILE . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 69' ' ' PRO . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 HD11 ' A' ' 44' ' ' LEU . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 84' ' ' PHE . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HD23 ' A' ' 35' ' ' LEU . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 53' ' ' LEU . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 11' ' ' LEU . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.882 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.712 ' CG2' HD13 ' A' ' 93' ' ' LEU . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 ' CG2' ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.895 ' HA ' HD23 ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.872 ' HB2' HD21 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.789 ' C ' HD13 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.464 ' OG ' HD21 ' A' ' 44' ' ' LEU . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.518 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 32' ' ' THR . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.826 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 27' ' ' GLN . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD23 HD12 ' A' ' 40' ' ' ILE . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 35' ' ' LEU . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' O ' HD13 ' A' ' 53' ' ' LEU . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.518 HD11 ' HB ' ' A' ' 16' ' ' THR . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 46' ' ' ASP . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 HD11 ' A' ' 11' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.526 ' HA ' HD22 ' A' ' 11' ' ' LEU . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 6.3 p30 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.631 ' O ' HG13 ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 71' ' ' ILE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.504 HD23 ' HE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.993 HG23 HD13 ' A' ' 93' ' ' LEU . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 88' ' ' VAL . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' HE1' HD23 ' A' ' 83' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 25' ' ' LYS . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.894 HG22 ' OE1' ' A' ' 28' ' ' GLN . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' THR . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.894 ' OE1' HG22 ' A' ' 24' ' ' ILE . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' GLN . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 44' ' ' LEU . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 HD12 ' A' ' 40' ' ' ILE . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD23 ' A' ' 35' ' ' LEU . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.556 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 18' ' ' VAL . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 1.8 t-20 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' C ' HG23 ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.866 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.866 ' SG ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.784 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 93' ' ' LEU . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.784 ' CE1' HD22 ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.758 ' HB2' HD23 ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.69 ' C ' HD22 ' A' ' 99' ' ' LEU . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.517 ' HB ' HD11 ' A' ' 47' ' ' ILE . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 18' ' ' VAL . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.766 ' OG ' HD12 ' A' ' 24' ' ' ILE . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.766 HD12 ' OG ' ' A' ' 21' ' ' SER . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' THR . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HD2' ' A' ' 81' ' ' TYR . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 28' ' ' GLN . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HE1' ' A' ' 84' ' ' PHE . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 35' ' ' LEU . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HE1' HD12 ' A' ' 44' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HB ' ' A' ' 16' ' ' THR . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.871 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.584 ' OD1' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 71' ' ' ILE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD1' HD13 ' A' ' 83' ' ' LEU . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' VAL . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' OD1' ' A' ' 80' ' ' ASP . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.574 ' HB2' HD13 ' A' ' 71' ' ' ILE . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.687 HG23 HD13 ' A' ' 93' ' ' LEU . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 88' ' ' VAL . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' A' ' 78' ' ' CYS . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 99' ' ' LEU . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 97' ' ' LEU . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.743 ' O ' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.683 ' OG ' HD12 ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 19' ' ' THR . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.839 HG12 HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD22 HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' HG22 ' A' ' 34' ' ' ILE . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HE1' HD23 ' A' ' 44' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.729 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 71' ' ' ILE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 93' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.113 HG23 HD13 ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.113 HD13 HG23 ' A' ' 88' ' ' VAL . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 19' ' ' THR . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.714 ' HB ' HG23 ' A' ' 16' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.855 HG12 HD22 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 44' ' ' LEU . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG3' HG22 ' A' ' 34' ' ' ILE . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' HE1' HD12 ' A' ' 44' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 53' ' ' LEU . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' O ' HD13 ' A' ' 53' ' ' LEU . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 18' ' ' VAL . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.572 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' C ' HG23 ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HG2' HG22 ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 HD11 ' A' ' 11' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 76' ' ' HIS . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.581 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 1.046 ' CE1' HD11 ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 HD13 ' A' ' 93' ' ' LEU . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.046 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 72' ' ' VAL . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.532 ' OG ' HD11 ' A' ' 44' ' ' LEU . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' GLN . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' HG22 ' A' ' 34' ' ' ILE . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 50' ' ' ASP . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 11' ' ' LEU . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 23.4 m170 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.785 ' CD1' HD11 ' A' ' 93' ' ' LEU . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.859 ' HB ' HD22 ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.661 ' OG ' HD12 ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.555 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG12 ' OG ' ' A' ' 48' ' ' SER . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' THR . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.741 HG22 HD21 ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.618 ' HE1' HD23 ' A' ' 44' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 16' ' ' THR . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.581 ' OG ' HG12 ' A' ' 18' ' ' VAL . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' THR . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' ALA . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 11' ' ' LEU . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 92' ' ' THR . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 90' ' ' GLN . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.954 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.954 ' CD1' HD11 ' A' ' 93' ' ' LEU . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -162.23 118.62 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.793 . . . . 0.0 109.996 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.11 152.44 46.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.22 -103.18 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.82 176.25 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.52 167.64 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 p -126.35 151.71 47.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -101.07 113.12 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -123.95 137.33 54.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.71 77.32 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 28' ' ' GLN . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 32' ' ' THR . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 27' ' ' GLN . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' GLN . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE2' ' A' ' 84' ' ' PHE . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 40' ' ' ILE . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.652 HD12 HD23 ' A' ' 35' ' ' LEU . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.655 ' HE1' HD12 ' A' ' 44' ' ' LEU . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' CG1' HD22 ' A' ' 53' ' ' LEU . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 71' ' ' ILE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 93' ' ' LEU . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' THR . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 90' ' ' GLN . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 88' ' ' VAL . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -166.26 158.58 14.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 140.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.86 -137.19 1.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.34 118.62 36.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.59 85.94 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -80.79 146.85 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.66 164.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -147.21 86.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.81 71.5 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 47' ' ' ILE . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 28' ' ' GLN . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' THR . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 84' ' ' PHE . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.615 ' HE1' HD12 ' A' ' 44' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HD11 ' HB ' ' A' ' 16' ' ' THR . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CB ' ' A' ' 50' ' ' ASP . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 71' ' ' ILE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HD2' HG23 ' A' ' 31' ' ' VAL . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.613 ' HB2' HD13 ' A' ' 71' ' ' ILE . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 93' ' ' LEU . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD22 HG22 ' A' ' 88' ' ' VAL . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -68.89 151.77 46.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.21 130.18 42.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.96 -127.94 45.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.51 161.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.22 69.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.0 p -134.42 146.49 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 133.9 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -140.81 125.45 17.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.66 69.53 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD11 HD22 ' A' ' 73' ' ' ASN . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 35' ' ' LEU . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 21' ' ' SER . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' THR . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.805 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 69' ' ' PRO . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' GLN . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 40' ' ' ILE . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 11' ' ' LEU . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 53' ' ' LEU . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 53' ' ' LEU . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.728 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.55 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 84' ' ' PHE . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.578 HD22 HD11 ' A' ' 11' ' ' LEU . 2.4 m-80 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 12.2 m80 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.671 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' THR . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 90' ' ' GLN . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.807 HD13 HG23 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.671 ' HE1' HD23 ' A' ' 83' ' ' LEU . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 73' ' ' ASN . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 116.53 26.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.5 113.83 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 150.05 42.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.77 134.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.99 166.3 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -133.64 -68.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.03 97.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -129.25 165.3 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.14 69.12 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.011 HG22 ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD2' HG23 ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.011 ' OE1' HG22 ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 27' ' ' GLN . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 28' ' ' GLN . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.684 ' CG1' HD22 ' A' ' 53' ' ' LEU . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.569 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.684 HD22 ' CG1' ' A' ' 45' ' ' VAL . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.593 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 76' ' ' HIS . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 3.0 m120 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.613 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 71' ' ' ILE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.6 HD23 ' HE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.6 ' HE1' HD23 ' A' ' 83' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 93' ' ' LEU . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -172.57 108.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.05 178.75 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 144.97 10.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -171.19 133.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 179.86 81.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.8 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -173.63 144.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.84 78.8 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 72' ' ' VAL . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 44' ' ' LEU . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.866 HG22 ' OE1' ' A' ' 28' ' ' GLN . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.866 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.793 ' CG2' HD21 ' A' ' 44' ' ' LEU . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 40' ' ' ILE . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 35' ' ' LEU . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HD23 ' A' ' 44' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.748 ' CG1' HD22 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD22 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.858 HG23 HD13 ' A' ' 93' ' ' LEU . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.858 HD13 HG23 ' A' ' 88' ' ' VAL . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t 59.85 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -101.89 162.23 13.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 125.74 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.33 150.42 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 99.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.8 p -124.33 144.84 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -131.28 144.65 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -138.61 155.46 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.83 75.08 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' LEU . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.607 ' OG ' HD11 ' A' ' 44' ' ' LEU . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.032 HG22 ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.032 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG23 ' HD2' ' A' ' 81' ' ' TYR . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 40' ' ' ILE . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 35' ' ' LEU . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.494 ' HE1' HD23 ' A' ' 44' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.585 ' O ' HD13 ' A' ' 53' ' ' LEU . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.763 HG23 HD11 ' A' ' 11' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' HIS . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.075 HG22 HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 92' ' ' THR . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 90' ' ' GLN . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.075 HD22 HG22 ' A' ' 88' ' ' VAL . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 93.94 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.04 147.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.19 -112.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 112.04 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.1 122.01 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 7' ' ' THR . 18.4 m -126.91 63.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -147.47 119.82 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -142.1 -53.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.08 63.55 3.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD11 HD22 ' A' ' 73' ' ' ASN . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.636 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.001 HG22 ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.001 ' OE1' HG22 ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HG2' ' A' ' 69' ' ' PRO . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.695 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 50' ' ' ASP . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.542 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.549 HD22 HD11 ' A' ' 11' ' ' LEU . 2.6 m-80 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' VAL . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' PHE . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.78 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -126.55 110.79 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 74.53 -59.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -169.88 35.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.86 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.74 112.74 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -127.2 141.17 51.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.28 121.58 20.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.3 p -144.85 160.2 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.11 70.74 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.524 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 27' ' ' GLN . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 40' ' ' ILE . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 35' ' ' LEU . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.73 ' HE1' HD12 ' A' ' 44' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.584 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 46' ' ' ASP . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 93' ' ' LEU . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 88' ' ' VAL . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.795 ' CD1' HD22 ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 99' ' ' LEU . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.43 136.83 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.97 164.47 25.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -146.89 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.0 -61.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.63 141.91 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 m -109.85 114.95 28.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.82 116.22 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -146.64 134.09 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.26 71.07 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 25' ' ' LYS . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD2' HG23 ' A' ' 19' ' ' THR . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' THR . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 27' ' ' GLN . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' GLN . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 40' ' ' ILE . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 35' ' ' LEU . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.561 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' SG ' ' A' ' 78' ' ' CYS . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 71' ' ' ILE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.059 HG22 HD22 ' A' ' 93' ' ' LEU . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 92' ' ' THR . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' GLN . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.059 HD22 HG22 ' A' ' 88' ' ' VAL . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -60.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 140.11 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -169.97 12.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.45 -67.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 75.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -111.76 98.44 7.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.23 106.51 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -146.24 140.33 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.83 74.77 0.71 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.441 HG23 ' HB ' ' A' ' 19' ' ' THR . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 48' ' ' SER . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 16' ' ' THR . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 44' ' ' LEU . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 38' ' ' LYS . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.74 ' HB2' HG22 ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.89 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 11' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' O ' HG12 ' A' ' 85' ' ' VAL . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 HD22 ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.887 HD22 HG22 ' A' ' 88' ' ' VAL . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 148.03 42.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.83 107.42 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.06 167.59 42.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.88 136.62 47.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.4 82.2 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.5 p -119.85 144.0 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.78 150.45 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -168.24 142.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.2 92.15 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' OG ' ' A' ' 15' ' ' SER . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' HG12 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' THR . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' GLN . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.653 HG21 HD11 ' A' ' 44' ' ' LEU . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 35' ' ' LEU . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.673 ' HE1' HD12 ' A' ' 44' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.673 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.901 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.901 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.534 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.84 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.59 140.16 24.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -94.96 151.26 19.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -103.81 2.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.43 129.73 6.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.93 133.49 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 t -68.24 142.81 55.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.57 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 m -111.54 143.75 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.74 77.31 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.84 HG22 ' OE1' ' A' ' 28' ' ' GLN . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.84 ' OE1' HG22 ' A' ' 24' ' ' ILE . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG12 HD22 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.51 HG21 HD11 ' A' ' 44' ' ' LEU . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 31' ' ' VAL . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 50' ' ' ASP . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.3 t-20 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 66' ' ' ALA . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.543 ' SG ' HG22 ' A' ' 71' ' ' ILE . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.871 ' CE1' HD11 ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' LEU . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.523 ' HE1' HD23 ' A' ' 83' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.29 106.68 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.946 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.51 147.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.55 121.57 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.91 158.92 25.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.38 81.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 7' ' ' THR . 18.0 m -100.35 59.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 126.77 28.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -168.09 134.54 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.77 74.31 2.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.913 HG22 ' OE1' ' A' ' 28' ' ' GLN . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.913 ' OE1' HG22 ' A' ' 24' ' ' ILE . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 69' ' ' PRO . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 HD11 ' A' ' 44' ' ' LEU . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 84' ' ' PHE . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HD23 ' A' ' 35' ' ' LEU . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 53' ' ' LEU . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 11' ' ' LEU . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 4.0 t-20 -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.882 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.712 ' CG2' HD13 ' A' ' 93' ' ' LEU . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 ' CG2' ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.895 ' HA ' HD23 ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.872 ' HB2' HD21 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.789 ' C ' HD13 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 65.1 153.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.0 93.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 132.34 5.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.63 155.96 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.85 162.53 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.9 m -131.39 -60.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mtp -106.07 147.71 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -122.33 104.29 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.92 84.11 0.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' OG ' HD21 ' A' ' 44' ' ' LEU . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.518 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 32' ' ' THR . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.826 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 27' ' ' GLN . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD23 HD12 ' A' ' 40' ' ' ILE . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 35' ' ' LEU . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' O ' HD13 ' A' ' 53' ' ' LEU . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.518 HD11 ' HB ' ' A' ' 16' ' ' THR . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 46' ' ' ASP . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 HD11 ' A' ' 11' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.526 ' HA ' HD22 ' A' ' 11' ' ' LEU . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 6.3 p30 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.631 ' O ' HG13 ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 71' ' ' ILE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.504 HD23 ' HE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.993 HG23 HD13 ' A' ' 93' ' ' LEU . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 88' ' ' VAL . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' HE1' HD23 ' A' ' 83' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -154.36 168.97 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 81.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -132.61 3.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.56 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.89 92.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -162.98 124.83 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.19 117.14 29.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.6 p -144.78 157.54 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.18 81.3 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 25' ' ' LYS . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.894 HG22 ' OE1' ' A' ' 28' ' ' GLN . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' THR . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.894 ' OE1' HG22 ' A' ' 24' ' ' ILE . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' GLN . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 44' ' ' LEU . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 HD12 ' A' ' 40' ' ' ILE . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD23 ' A' ' 35' ' ' LEU . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.556 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 18' ' ' VAL . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 1.8 t-20 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' C ' HG23 ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.866 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.866 ' SG ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.784 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 93' ' ' LEU . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.784 ' CE1' HD22 ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.758 ' HB2' HD23 ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.69 ' C ' HD22 ' A' ' 99' ' ' LEU . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.59 86.68 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.056 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -120.26 115.4 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.13 -110.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.48 73.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.73 . . . . 0.0 109.245 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.78 163.07 29.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -137.24 143.18 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.67 103.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -137.33 120.12 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.92 76.61 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.517 ' HB ' HD11 ' A' ' 47' ' ' ILE . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 18' ' ' VAL . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.766 ' OG ' HD12 ' A' ' 24' ' ' ILE . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.766 HD12 ' OG ' ' A' ' 21' ' ' SER . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' THR . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HD2' ' A' ' 81' ' ' TYR . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 28' ' ' GLN . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HE1' ' A' ' 84' ' ' PHE . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 35' ' ' LEU . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HE1' HD12 ' A' ' 44' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HB ' ' A' ' 16' ' ' THR . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.871 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.584 ' OD1' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 71' ' ' ILE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD1' HD13 ' A' ' 83' ' ' LEU . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' VAL . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' OD1' ' A' ' 80' ' ' ASP . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.574 ' HB2' HD13 ' A' ' 71' ' ' ILE . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.687 HG23 HD13 ' A' ' 93' ' ' LEU . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 88' ' ' VAL . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' A' ' 78' ' ' CYS . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 99' ' ' LEU . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 97' ' ' LEU . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -152.06 103.75 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.01 -59.46 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.0 124.07 6.98 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.05 78.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.98 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -126.6 86.59 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 146.25 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 p -172.84 160.71 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.54 79.18 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.743 ' O ' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.683 ' OG ' HD12 ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 19' ' ' THR . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.839 HG12 HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD22 HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' HG22 ' A' ' 34' ' ' ILE . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HE1' HD23 ' A' ' 44' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.729 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 71' ' ' ILE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 93' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.113 HG23 HD13 ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.113 HD13 HG23 ' A' ' 88' ' ' VAL . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -132.84 153.04 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -141.81 155.04 45.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.51 -70.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.46 162.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -107.64 175.99 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 t -162.04 119.93 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mtm -98.66 92.94 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -106.29 144.67 32.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.59 75.15 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 19' ' ' THR . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.714 ' HB ' HG23 ' A' ' 16' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG12 HD22 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 44' ' ' LEU . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG3' HG22 ' A' ' 34' ' ' ILE . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' HE1' HD12 ' A' ' 44' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 53' ' ' LEU . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' O ' HD13 ' A' ' 53' ' ' LEU . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 18' ' ' VAL . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.572 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' C ' HG23 ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HG2' HG22 ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 HD11 ' A' ' 11' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 76' ' ' HIS . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.581 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 1.046 ' CE1' HD11 ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 HD13 ' A' ' 93' ' ' LEU . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.046 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -97.51 97.88 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -151.03 85.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.55 53.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.32 106.92 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.39 144.68 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -25.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtt 51.34 85.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -108.61 162.56 14.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.08 74.04 0.45 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 72' ' ' VAL . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.532 ' OG ' HD11 ' A' ' 44' ' ' LEU . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' GLN . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' HG22 ' A' ' 34' ' ' ILE . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 50' ' ' ASP . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 11' ' ' LEU . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 23.4 m170 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.785 ' CD1' HD11 ' A' ' 93' ' ' LEU . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -165.31 85.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 162.95 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 127.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.22 120.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.23 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.01 144.6 32.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.71 157.78 44.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.69 155.48 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.92 72.87 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.859 ' HB ' HD22 ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.661 ' OG ' HD12 ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.555 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG12 ' OG ' ' A' ' 48' ' ' SER . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' THR . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.741 HG22 HD21 ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.618 ' HE1' HD23 ' A' ' 44' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 16' ' ' THR . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.581 ' OG ' HG12 ' A' ' 18' ' ' VAL . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' THR . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' ALA . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 11' ' ' LEU . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 92' ' ' THR . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 90' ' ' GLN . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.954 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.954 ' CD1' HD11 ' A' ' 93' ' ' LEU . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 28' ' ' GLN . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 32' ' ' THR . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 27' ' ' GLN . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' GLN . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE2' ' A' ' 84' ' ' PHE . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 40' ' ' ILE . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.652 HD12 HD23 ' A' ' 35' ' ' LEU . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.655 ' HE1' HD12 ' A' ' 44' ' ' LEU . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' CG1' HD22 ' A' ' 53' ' ' LEU . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 71' ' ' ILE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 93' ' ' LEU . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' THR . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 90' ' ' GLN . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 88' ' ' VAL . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 47' ' ' ILE . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 28' ' ' GLN . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' THR . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 84' ' ' PHE . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.615 ' HE1' HD12 ' A' ' 44' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HD11 ' HB ' ' A' ' 16' ' ' THR . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CB ' ' A' ' 50' ' ' ASP . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 71' ' ' ILE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HD2' HG23 ' A' ' 31' ' ' VAL . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.613 ' HB2' HD13 ' A' ' 71' ' ' ILE . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 93' ' ' LEU . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD22 HG22 ' A' ' 88' ' ' VAL . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD22 ' CG2' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 35' ' ' LEU . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 21' ' ' SER . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' THR . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.805 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 69' ' ' PRO . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' GLN . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 40' ' ' ILE . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 11' ' ' LEU . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 53' ' ' LEU . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 53' ' ' LEU . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.728 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.55 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 84' ' ' PHE . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' HIS . 2.9 m120 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 17.7 m-70 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.671 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' THR . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 90' ' ' GLN . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.807 HD13 HG23 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.671 ' HE1' HD23 ' A' ' 83' ' ' LEU . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.011 HG22 ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD2' HG23 ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.011 ' OE1' HG22 ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 27' ' ' GLN . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 28' ' ' GLN . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.684 ' CG1' HD22 ' A' ' 53' ' ' LEU . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.569 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.684 HD22 ' CG1' ' A' ' 45' ' ' VAL . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.593 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 76' ' ' HIS . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.5 t-20 -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.3 m-20 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.613 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 71' ' ' ILE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.6 HD23 ' HE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.6 ' HE1' HD23 ' A' ' 83' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 93' ' ' LEU . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 72' ' ' VAL . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 44' ' ' LEU . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.866 HG22 ' OE1' ' A' ' 28' ' ' GLN . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.866 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.793 ' CG2' HD21 ' A' ' 44' ' ' LEU . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 40' ' ' ILE . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 35' ' ' LEU . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HD23 ' A' ' 44' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.748 ' CG1' HD22 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD22 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.423 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.858 HG23 HD13 ' A' ' 93' ' ' LEU . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.858 HD13 HG23 ' A' ' 88' ' ' VAL . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' LEU . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.607 ' OG ' HD11 ' A' ' 44' ' ' LEU . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.032 HG22 ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.032 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG23 ' HD2' ' A' ' 81' ' ' TYR . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 40' ' ' ILE . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 35' ' ' LEU . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.494 ' HE1' HD23 ' A' ' 44' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.585 ' O ' HD13 ' A' ' 53' ' ' LEU . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.763 HG23 HD11 ' A' ' 11' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' HIS . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 11' ' ' LEU . 9.4 t-20 -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.075 HG22 HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 92' ' ' THR . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 90' ' ' GLN . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.075 HD22 HG22 ' A' ' 88' ' ' VAL . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.636 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.001 HG22 ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.001 ' OE1' HG22 ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HG2' ' A' ' 69' ' ' PRO . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.522 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.695 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 50' ' ' ASP . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.542 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 m120 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' VAL . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' PHE . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.78 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.524 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 27' ' ' GLN . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 40' ' ' ILE . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 35' ' ' LEU . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.73 ' HE1' HD12 ' A' ' 44' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.584 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 46' ' ' ASP . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 93' ' ' LEU . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 88' ' ' VAL . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.795 ' CD1' HD22 ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 99' ' ' LEU . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 25' ' ' LYS . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD2' HG23 ' A' ' 19' ' ' THR . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' THR . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 27' ' ' GLN . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' GLN . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 40' ' ' ILE . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 35' ' ' LEU . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.561 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' SG ' ' A' ' 78' ' ' CYS . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.7 t-20 -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 71' ' ' ILE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.059 HG22 HD22 ' A' ' 93' ' ' LEU . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 92' ' ' THR . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' GLN . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.059 HD22 HG22 ' A' ' 88' ' ' VAL . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.441 HG23 ' HB ' ' A' ' 19' ' ' THR . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 48' ' ' SER . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 16' ' ' THR . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 44' ' ' LEU . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 38' ' ' LYS . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.74 ' HB2' HG22 ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.89 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 11' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.1 t-20 -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' O ' HG12 ' A' ' 85' ' ' VAL . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 HD22 ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.887 HD22 HG22 ' A' ' 88' ' ' VAL . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' OG ' ' A' ' 15' ' ' SER . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' HG12 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' THR . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' GLN . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.653 HG21 HD11 ' A' ' 44' ' ' LEU . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 35' ' ' LEU . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.673 ' HE1' HD12 ' A' ' 44' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.673 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.901 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.901 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.534 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.84 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.84 HG22 ' OE1' ' A' ' 28' ' ' GLN . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.84 ' OE1' HG22 ' A' ' 24' ' ' ILE . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG12 HD22 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.51 HG21 HD11 ' A' ' 44' ' ' LEU . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 31' ' ' VAL . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 50' ' ' ASP . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 8.7 t30 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 66' ' ' ALA . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 11.1 t-20 -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.543 ' SG ' HG22 ' A' ' 71' ' ' ILE . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.871 ' CE1' HD11 ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' LEU . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.523 ' HE1' HD23 ' A' ' 83' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.913 HG22 ' OE1' ' A' ' 28' ' ' GLN . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.913 ' OE1' HG22 ' A' ' 24' ' ' ILE . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 69' ' ' PRO . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 HD11 ' A' ' 44' ' ' LEU . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 84' ' ' PHE . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HD23 ' A' ' 35' ' ' LEU . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 53' ' ' LEU . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 11' ' ' LEU . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 4.0 t-20 -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.882 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.712 ' CG2' HD13 ' A' ' 93' ' ' LEU . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 ' CG2' ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.895 ' HA ' HD23 ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.872 ' HB2' HD21 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.789 ' C ' HD13 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.464 ' OG ' HD21 ' A' ' 44' ' ' LEU . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.518 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 32' ' ' THR . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.826 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 27' ' ' GLN . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD23 HD12 ' A' ' 40' ' ' ILE . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 35' ' ' LEU . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' O ' HD13 ' A' ' 53' ' ' LEU . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.518 HD11 ' HB ' ' A' ' 16' ' ' THR . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 46' ' ' ASP . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 HD11 ' A' ' 11' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.526 ' HA ' HD22 ' A' ' 11' ' ' LEU . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p-10 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.631 ' O ' HG13 ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 71' ' ' ILE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.504 HD23 ' HE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.993 HG23 HD13 ' A' ' 93' ' ' LEU . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 88' ' ' VAL . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' HE1' HD23 ' A' ' 83' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 25' ' ' LYS . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.894 HG22 ' OE1' ' A' ' 28' ' ' GLN . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' THR . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.894 ' OE1' HG22 ' A' ' 24' ' ' ILE . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' GLN . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 44' ' ' LEU . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 HD12 ' A' ' 40' ' ' ILE . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD23 ' A' ' 35' ' ' LEU . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.556 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 18' ' ' VAL . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.6 t30 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' C ' HG23 ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.866 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.866 ' SG ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.784 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 93' ' ' LEU . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.784 ' CE1' HD22 ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.758 ' HB2' HD23 ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.69 ' C ' HD22 ' A' ' 99' ' ' LEU . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.517 ' HB ' HD11 ' A' ' 47' ' ' ILE . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 18' ' ' VAL . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.766 ' OG ' HD12 ' A' ' 24' ' ' ILE . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.766 HD12 ' OG ' ' A' ' 21' ' ' SER . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' THR . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HD2' ' A' ' 81' ' ' TYR . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 28' ' ' GLN . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HE1' ' A' ' 84' ' ' PHE . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 35' ' ' LEU . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HE1' HD12 ' A' ' 44' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HB ' ' A' ' 16' ' ' THR . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.871 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.584 ' OD1' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 71' ' ' ILE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD1' HD13 ' A' ' 83' ' ' LEU . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' VAL . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' OD1' ' A' ' 80' ' ' ASP . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.574 ' HB2' HD13 ' A' ' 71' ' ' ILE . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.687 HG23 HD13 ' A' ' 93' ' ' LEU . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 88' ' ' VAL . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' A' ' 78' ' ' CYS . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 99' ' ' LEU . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 97' ' ' LEU . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.743 ' O ' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.683 ' OG ' HD12 ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 19' ' ' THR . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.839 HG12 HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD22 HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' HG22 ' A' ' 34' ' ' ILE . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HE1' HD23 ' A' ' 44' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.729 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 71' ' ' ILE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 93' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.113 HG23 HD13 ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.113 HD13 HG23 ' A' ' 88' ' ' VAL . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 19' ' ' THR . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.714 ' HB ' HG23 ' A' ' 16' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.855 HG12 HD22 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 44' ' ' LEU . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG3' HG22 ' A' ' 34' ' ' ILE . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' HE1' HD12 ' A' ' 44' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 53' ' ' LEU . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' O ' HD13 ' A' ' 53' ' ' LEU . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 18' ' ' VAL . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.572 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' C ' HG23 ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HG2' HG22 ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 HD11 ' A' ' 11' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 76' ' ' HIS . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.581 ' HA ' HD22 ' A' ' 11' ' ' LEU . 4.5 t-20 -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 1.046 ' CE1' HD11 ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 HD13 ' A' ' 93' ' ' LEU . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.046 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 72' ' ' VAL . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.532 ' OG ' HD11 ' A' ' 44' ' ' LEU . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' GLN . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' HG22 ' A' ' 34' ' ' ILE . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 50' ' ' ASP . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 11' ' ' LEU . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 10.4 t-20 -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 73' ' ' ASN . 28.2 m-70 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.785 ' CD1' HD11 ' A' ' 93' ' ' LEU . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CB ' ' ND2' ' A' ' 73' ' ' ASN . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.859 ' HB ' HD22 ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.661 ' OG ' HD12 ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.555 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG12 ' OG ' ' A' ' 48' ' ' SER . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' THR . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.741 HG22 HD21 ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.618 ' HE1' HD23 ' A' ' 44' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 16' ' ' THR . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.581 ' OG ' HG12 ' A' ' 18' ' ' VAL . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' THR . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' ALA . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 11' ' ' LEU . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 8.8 t-20 -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.6 t-20 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 92' ' ' THR . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 90' ' ' GLN . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.954 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.954 ' CD1' HD11 ' A' ' 93' ' ' LEU . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -162.23 118.62 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.793 . . . . 0.0 109.996 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.11 152.44 46.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.22 -103.18 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.82 176.25 5.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.52 167.64 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 p -126.35 151.71 47.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -101.07 113.12 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -123.95 137.33 54.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.71 77.32 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.26 134.28 42.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.28 127.19 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.19 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 72' ' ' VAL . 21.1 m-85 -72.41 100.66 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' CB ' ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -123.31 167.64 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.35 159.81 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.2 t -105.17 -39.29 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.9 111.86 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -156.15 151.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.87 -21.88 5.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -50.71 -39.71 52.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 78.78 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 28' ' ' GLN . 76.6 mt -49.45 -56.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 2.1 mtpp -39.56 -61.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.26 -55.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 67.4 mt-30 -55.59 -43.68 76.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 32' ' ' THR . 34.6 mt-30 -64.21 -53.18 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -42.89 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 mt-10 -61.96 -63.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 27' ' ' GLN . 49.7 t -40.41 -55.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' GLN . 46.7 p -58.12 -42.46 85.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -58.94 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE2' ' A' ' 84' ' ' PHE . 3.5 mt -54.75 -46.2 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 40' ' ' ILE . 57.2 mt -61.86 -41.74 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -60.13 -54.88 40.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.48 -46.07 93.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -65.3 -13.21 57.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 58.1 42.89 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.652 HD12 HD23 ' A' ' 35' ' ' LEU . 96.0 mt -85.85 142.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 108.95 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.655 ' HE1' HD12 ' A' ' 44' ' ' LEU . 4.8 p90 -146.96 169.67 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.54 128.02 44.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -76.18 113.73 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' CG1' HD22 ' A' ' 53' ' ' LEU . 40.3 t -99.08 108.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.3 t0 -79.28 106.27 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 pt -75.17 -26.63 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -60.15 -50.78 72.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.93 -66.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.39 123.44 47.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -58.74 -38.25 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.1 -53.51 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.1 mt -43.55 -55.41 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -38.63 -43.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.44 -60.8 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.81 -41.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.7 ttp -65.58 -51.37 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -49.05 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -58.49 -55.31 36.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -47.95 -58.73 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.55 -59.95 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.94 40.37 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 26.0 t30 -170.0 132.69 1.06 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.25 6.34 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -94.23 39.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 67' ' ' THR . . . -89.58 168.98 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 66' ' ' ALA . 20.3 p -156.1 161.26 29.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -177.03 19.31 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.9 115.49 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.2 mp -91.89 133.8 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.0 t -136.54 143.92 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.8 t-20 -120.77 106.24 11.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.4 m120 -132.7 20.91 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.2 m-70 -115.51 150.48 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -106.33 102.82 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 71' ' ' ILE . 33.0 m -57.35 -70.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.28 -148.97 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -105.97 -173.87 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 8.7 t80 -57.05 -44.8 83.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.99 -60.89 3.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mp -46.03 -43.14 14.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.2 t80 -66.98 -63.03 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -47.15 -44.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 mt-10 -50.67 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -53.99 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 93' ' ' LEU . 48.3 t -42.52 -51.13 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.16 -41.65 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' THR . 80.7 mm-40 -74.02 -1.54 20.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.46 31.04 19.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 90' ' ' GLN . 17.3 p -124.55 30.01 6.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 88' ' ' VAL . 23.5 tp -60.83 -23.09 64.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.75 -26.57 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.22 -50.88 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 23.3 t80 -48.45 -55.27 11.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.6 mt -67.56 -156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 48.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.8 mp -97.58 -49.91 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -166.26 158.58 14.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 140.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.86 -137.19 1.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.34 118.62 36.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.59 85.94 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -80.79 146.85 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.66 164.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -147.21 86.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.81 71.5 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.14 139.15 44.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -131.52 130.48 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 t -111.87 99.01 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 21.7 m-85 -71.79 101.94 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 1.2 p -125.14 151.57 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 47' ' ' ILE . 4.2 t -109.21 159.74 16.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -19.39 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -117.08 95.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 3.7 t -137.25 137.77 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.31 36.78 3.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 20.0 m -111.96 -39.62 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.9 ttt85 82.78 -57.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.87 -32.37 44.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 28' ' ' GLN . 94.4 mt -66.8 -56.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 4.1 mtmm -39.36 -62.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -38.92 -52.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.536 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 65.9 mt-30 -59.28 -45.69 90.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' THR . 32.1 mt-30 -63.08 -27.58 69.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -45.31 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -56.79 17.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 69' ' ' PRO . 53.1 t -43.28 -59.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 p -55.2 -45.89 75.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -52.37 -46.39 66.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 84' ' ' PHE . 96.8 mt -66.62 -50.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.86 -42.9 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.6 -52.87 63.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.89 93.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.34 33.49 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -76.59 137.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.08 113.8 19.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.615 ' HE1' HD12 ' A' ' 44' ' ' LEU . 14.0 p90 -147.12 177.83 8.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -134.9 121.76 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.06 109.22 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.71 116.39 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -86.58 106.37 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HD11 ' HB ' ' A' ' 16' ' ' THR . 15.5 pt -71.53 -41.55 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -38.08 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.68 -56.48 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -115.9 113.31 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -50.89 -36.52 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.13 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CB ' ' A' ' 50' ' ' ASP . 6.2 mt -41.52 -56.48 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.45 -44.05 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.1 t70 -78.36 -61.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ASP . 64.2 mt-10 -38.82 -45.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.525 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.3 tmm? -67.85 -42.85 80.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -57.68 -39.92 78.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 -54.34 12.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.46 -54.67 20.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.74 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.22 35.52 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 16.0 t30 -167.17 128.17 1.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 48.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -99.45 174.04 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 66' ' ' ALA . 23.0 p -155.46 160.81 30.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.12 27.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.99 -176.79 18.79 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.08 118.86 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 84' ' ' PHE . 3.6 mp -94.13 134.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 76' ' ' HIS . 4.6 t -137.76 143.17 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t-20 -118.63 105.15 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.36 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 16.5 p30 -130.93 7.79 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 72' ' ' VAL . 91.6 m-70 -101.84 156.44 17.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.632 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -111.29 110.26 20.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 71' ' ' ILE . 27.6 m -65.3 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.47 -139.79 5.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.56 -163.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HD2' HG23 ' A' ' 31' ' ' VAL . 6.8 t80 -65.1 -45.6 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.74 -63.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.59 -36.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.613 ' HB2' HD13 ' A' ' 71' ' ' ILE . 24.9 t80 -72.08 -60.45 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -50.36 -44.87 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 20.6 mt-10 -48.75 -66.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -50.48 -53.63 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 93' ' ' LEU . 51.3 t -41.85 -51.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.42 -60.16 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 79.2 mm-40 -57.39 -18.3 17.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER 80.5 23.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.4 p -109.06 28.34 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD22 HG22 ' A' ' 88' ' ' VAL . 64.8 tp -60.89 -21.55 63.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.31 -33.69 61.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -48.27 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 36.9 t80 -51.46 -51.37 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.86 173.18 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.7 51.79 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -105.67 -48.15 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -68.89 151.77 46.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.21 130.18 42.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.96 -127.94 45.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.51 161.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.22 69.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.0 p -134.42 146.49 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 133.9 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -140.81 125.45 17.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.66 69.53 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD22 ' CG2' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -75.65 146.13 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.51 134.26 35.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 35' ' ' LEU . 11.9 t -114.95 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 23.4 m-85 -71.7 101.31 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 p -123.51 158.06 32.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -109.83 136.63 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -52.99 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -93.58 123.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -171.34 145.87 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 -50.63 2.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -43.02 116.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -9.98 59.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -32.86 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 21' ' ' SER . 61.8 mt -67.08 -63.88 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.3 mtmt -40.63 -60.72 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -38.55 -54.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 58.1 mt-30 -56.44 -48.75 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' THR . 20.4 mt-30 -59.25 -45.5 91.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -45.76 91.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.805 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.5 mt-10 -59.22 -62.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 69' ' ' PRO . 68.1 t -39.6 -58.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' GLN . 44.9 p -56.15 -44.11 78.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -55.49 -54.04 48.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -59.52 -48.58 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 40' ' ' ILE . 52.8 mt -58.05 -37.94 75.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.59 -53.1 46.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.25 -41.74 98.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -71.83 -10.22 59.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 56.96 48.51 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 11' ' ' LEU . 67.7 mt -93.34 138.15 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.73 111.73 18.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 21.3 p90 -144.59 -178.06 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.02 125.57 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.6 112.61 10.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 53' ' ' LEU . 76.3 t -100.71 117.0 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 53' ' ' LEU . 68.5 t0 -85.43 106.4 16.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -70.35 -42.16 78.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -47.71 45.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -67.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.07 111.87 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -49.47 -35.83 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -49.12 -54.76 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.08 -56.56 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -38.94 -43.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' ALA . 19.1 t0 -78.88 -60.99 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -38.44 -44.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 17.6 tmm? -68.88 -46.2 69.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -55.25 -35.42 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -76.58 -54.21 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.3 mt -49.44 -53.87 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 77' ' ' TYR . . . -55.64 -56.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 41.37 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.728 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.3 t30 -167.49 127.39 1.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -30.74 6.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 47.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.36 170.35 9.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.8 p -153.3 160.35 31.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.96 167.4 27.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.55 ' HG2' HG21 ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -178.76 24.39 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.021 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -156.84 113.79 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 84' ' ' PHE . 2.8 mp -88.09 135.75 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.3 t -140.97 137.69 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' HIS . 2.9 m120 -107.79 104.96 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.18 -95.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -114.6 -10.67 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 73' ' ' ASN . 17.7 m-70 -86.85 152.72 22.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 25.7 t80 -108.07 126.14 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 27.4 m -84.03 -66.78 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 162.09 -142.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -124.37 176.41 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 51.4 t80 -44.09 -39.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -56.44 -67.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.671 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -48.03 -43.95 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.8 t80 -55.53 -55.02 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -54.31 -45.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.12 -51.59 63.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.33 -55.14 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 93' ' ' LEU . 4.0 t -40.93 -50.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.77 -43.15 76.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' THR . 35.0 mt-30 -66.92 -10.57 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' ALA . 6.6 t70 67.19 14.05 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 90' ' ' GLN . 33.8 p -107.96 35.33 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.807 HD13 HG23 ' A' ' 88' ' ' VAL . 13.9 tp -63.25 -37.53 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -28.63 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -53.14 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.671 ' HE1' HD23 ' A' ' 83' ' ' LEU . 39.8 t80 -45.51 -47.1 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.28 -169.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -105.93 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.28 -47.3 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 116.53 26.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.5 113.83 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 150.05 42.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.77 134.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.99 166.3 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -133.64 -68.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.03 97.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -129.25 165.3 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.14 69.12 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.31 132.55 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.47 128.22 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.71 99.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.1 m-85 -73.41 107.08 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -122.88 178.86 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -140.89 160.03 40.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.43 -39.11 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.06 81.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' HD2' ' A' ' 25' ' ' LYS . 5.2 t -139.29 117.86 12.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.68 62.43 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -129.94 -48.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 85.02 -46.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -44.37 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.011 HG22 ' OE1' ' A' ' 28' ' ' GLN . 15.8 mt -54.68 -51.94 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD2' HG23 ' A' ' 19' ' ' THR . 10.9 mtpt -48.43 -55.12 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.77 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 14.6 mt-30 -52.2 -45.52 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.011 ' OE1' HG22 ' A' ' 24' ' ' ILE . 4.7 mt-30 -62.61 -46.46 88.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -42.74 97.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -61.08 -64.44 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 27' ' ' GLN . 78.6 t -40.38 -57.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 28' ' ' GLN . 74.0 p -54.65 -43.77 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -58.3 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.1 mt -55.12 -51.01 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.9 mt -52.26 -42.16 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -44.87 90.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.03 69.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.2 mttm -63.17 -15.37 56.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 61.99 39.96 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.0 mt -90.87 137.65 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.52 110.75 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -145.19 172.02 13.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -133.1 128.11 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -74.16 113.08 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.684 ' CG1' HD22 ' A' ' 53' ' ' LEU . 93.5 t -103.52 99.54 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -71.71 108.14 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.3 -48.77 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -42.63 -52.26 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.9 mm100 -38.69 -60.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.569 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -114.64 114.14 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -51.43 -39.09 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.72 -51.83 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.684 HD22 ' CG1' ' A' ' 45' ' ' VAL . 5.4 mt -43.55 -55.85 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -38.12 -44.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -75.73 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.89 -42.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 17.7 tmm? -65.96 -55.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -47.63 -47.53 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.04 -51.7 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.76 91.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.99 32.32 5.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 15.1 t30 -156.04 132.87 6.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.72 5.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -101.4 50.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -94.22 170.34 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 66' ' ' ALA . 40.5 p -154.59 160.86 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.03 167.04 27.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.03 176.71 42.27 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.013 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.18 114.01 4.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.593 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.3 mp -93.79 129.1 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 76' ' ' HIS . 11.0 t -132.5 138.7 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.5 t-20 -118.34 104.6 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 37.09 65.72 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.3 m-20 84.77 -46.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.613 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.0 m-70 -54.23 154.33 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -116.7 126.29 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 71' ' ' ILE . 15.3 m -81.39 -66.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.45 -146.32 11.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -115.17 174.09 6.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 34.7 t80 -45.91 -39.0 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.52 -69.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.6 HD23 ' HE1' ' A' ' 96' ' ' PHE . 4.0 mp -41.22 -48.02 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -53.57 -55.58 24.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.6 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -48.22 -59.81 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.4 -58.71 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -39.84 -55.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.05 -49.19 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -61.39 -16.37 45.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.4 t0 75.13 27.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.0 p -126.53 23.17 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 97' ' ' LEU . 1.5 tm? -54.35 -38.35 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -52.2 -24.05 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -85.53 -52.12 6.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.6 ' HE1' HD23 ' A' ' 83' ' ' LEU . 30.2 t80 -45.86 -62.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 93' ' ' LEU . 30.6 mt -61.0 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 2.7 mptp? -120.06 51.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.49 -50.73 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -172.57 108.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.05 178.75 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 144.97 10.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -171.19 133.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 179.86 81.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -145.39 143.18 29.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.8 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -173.63 144.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.84 78.8 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -73.93 132.91 42.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -133.37 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 44' ' ' LEU . 60.1 t -120.43 99.46 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 72' ' ' VAL . 15.9 m-85 -74.17 99.76 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 44' ' ' LEU . 17.9 p -114.86 -178.74 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -141.01 141.9 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -43.58 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -94.35 120.32 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -173.04 110.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.98 35.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 156.39 39.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -44.79 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -37.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.866 HG22 ' OE1' ' A' ' 28' ' ' GLN . 72.7 mt -61.84 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -47.01 -53.88 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.52 -51.36 48.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 62.9 mt-30 -51.33 -40.89 60.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.866 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.7 mt-30 -66.35 -50.59 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -46.25 80.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -57.44 -63.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.6 t -43.28 -56.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.793 ' CG2' HD21 ' A' ' 44' ' ' LEU . 10.9 p -56.37 -35.37 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLU . 23.2 ttt-85 -60.67 -56.41 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -57.44 -43.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 40' ' ' ILE . 66.5 mt -62.41 -43.18 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.63 -49.78 73.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.61 -43.38 98.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -69.79 -8.08 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.91 40.48 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 35' ' ' LEU . 86.0 mt -85.44 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 110.39 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HD23 ' A' ' 44' ' ' LEU . 22.5 p90 -148.73 178.85 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -146.66 126.84 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 148.91 45.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.748 ' CG1' HD22 ' A' ' 53' ' ' LEU . 28.1 t -137.27 102.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -71.39 105.98 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 53' ' ' LEU . 10.2 pt -64.78 -41.63 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -49.97 -50.2 47.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -40.14 -69.25 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -101.38 115.26 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -50.11 -38.21 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -55.25 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD22 ' CG1' ' A' ' 45' ' ' VAL . 10.9 mt -40.46 -59.12 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -38.23 -45.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -72.78 -58.61 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.11 -33.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.0 tmm? -68.55 -56.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -53.86 -44.49 70.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -63.62 -55.1 26.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.58 -56.8 15.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.4 20.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.19 37.93 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -166.97 133.78 1.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -30.16 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.19 44.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.3 162.04 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.2 p -151.83 159.03 33.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 166.96 28.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.988 -0.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -158.05 113.84 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 11' ' ' LEU . 4.4 mp -86.67 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -141.18 138.15 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ASN . 5.6 t-20 -113.75 105.96 13.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.13 -85.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.8 m-20 -135.04 23.02 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -116.2 142.39 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.63 105.63 17.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 99.5 m -63.76 -72.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.81 -145.48 9.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -119.61 178.71 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 t80 -50.13 -39.02 41.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.4 -59.76 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.64 -43.39 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -55.66 -51.22 67.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -59.64 -48.82 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 mt-10 -46.58 -55.44 7.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -63.42 -57.89 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.858 HG23 HD13 ' A' ' 93' ' ' LEU . 7.1 t -42.94 -53.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.56 -44.49 96.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -67.62 -9.01 39.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.8 t0 69.88 29.08 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 p -128.32 36.4 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.858 HD13 HG23 ' A' ' 88' ' ' VAL . 20.2 tp -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -73.24 -37.25 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.58 -55.29 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 27.2 t80 -45.85 -49.32 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 mt -77.38 173.81 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.93 49.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.54 -49.38 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t 59.85 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -101.89 162.23 13.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 125.74 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.33 150.42 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 99.07 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.8 p -124.33 144.84 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -131.28 144.65 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -138.61 155.46 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.83 75.08 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 139.5 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 2.0 mtt180 -138.18 130.09 28.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' LEU . 61.6 t -105.48 99.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 17.3 m-85 -74.18 95.3 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.607 ' OG ' HD11 ' A' ' 44' ' ' LEU . 6.5 m -119.8 158.3 26.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -106.42 130.57 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -54.9 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.47 143.85 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.38 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.61 87.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -61.15 139.46 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -93.91 -39.79 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -27.65 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.032 HG22 ' OE1' ' A' ' 28' ' ' GLN . 24.3 mt -75.84 -57.84 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -45.95 -58.63 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -56.65 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.502 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 61.4 mt-30 -51.69 -42.64 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.032 ' OE1' HG22 ' A' ' 24' ' ' ILE . 5.9 mt-30 -67.15 -38.64 85.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -41.58 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.99 -63.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG23 ' HD2' ' A' ' 81' ' ' TYR . 53.7 t -40.57 -58.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.4 p -54.01 -45.51 71.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -50.69 -54.8 20.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -58.77 -51.31 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 40' ' ' ILE . 76.3 mt -53.45 -43.39 68.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.4 -53.89 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.55 98.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 34' ' ' ILE . 6.6 mttm -73.02 -9.64 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 55.61 42.49 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 35' ' ' LEU . 95.9 mt -85.65 138.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.63 109.09 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.494 ' HE1' HD23 ' A' ' 44' ' ' LEU . 18.8 p90 -144.33 179.25 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 6.9 tt0 -144.65 125.13 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -71.79 146.04 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -131.58 118.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.585 ' O ' HD13 ' A' ' 53' ' ' LEU . 58.1 t0 -79.41 106.26 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -77.93 -35.61 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -39.93 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.0 107.32 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -38.76 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -45.82 -56.86 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.44 -57.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 3.8 ttt-85 -38.43 -44.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -76.93 -62.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.12 -46.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 18.4 tmm? -66.86 -45.1 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -55.52 -42.47 74.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -67.57 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.0 mt -48.1 -54.49 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.94 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.14 33.67 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.9 t30 -164.57 130.3 2.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -31.16 6.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 3.1 mptt -93.28 30.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -79.69 154.67 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -144.97 160.46 46.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 166.42 29.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 -178.65 24.07 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.019 -0.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.03 115.32 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.763 HG23 HD11 ' A' ' 11' ' ' LEU . 4.0 mp -91.34 129.04 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' HIS . 12.5 t -131.08 142.78 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 11' ' ' LEU . 9.4 t-20 -116.81 105.58 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.24 -87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.3 t30 -130.47 20.75 5.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 72' ' ' VAL . 90.7 m-70 -114.0 153.42 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.613 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -107.86 109.87 21.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 84.8 m -68.88 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.22 -149.28 16.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.16 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -114.97 -179.26 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 16.7 t80 -51.18 -42.55 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.37 -57.85 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.2 mp -55.69 -44.78 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.7 t80 -55.34 -45.14 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.85 -44.43 85.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.52 -43.75 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 90' ' ' GLN . . . -74.02 -56.61 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.075 HG22 HD22 ' A' ' 93' ' ' LEU . 23.4 t -41.71 -43.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.31 -42.77 83.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.557 ' O ' HG23 ' A' ' 92' ' ' THR . 97.2 mm-40 -79.57 2.88 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 60.38 17.57 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 90' ' ' GLN . 19.9 p -104.59 31.85 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.075 HD22 HG22 ' A' ' 88' ' ' VAL . 18.7 tp -62.65 -22.91 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.367 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.25 -32.48 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -74.03 -54.83 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 38.6 t80 -44.65 -46.16 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.25 179.06 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -94.54 46.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.79 -49.45 4.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.6 93.94 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -46.04 147.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.267 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.19 -112.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 112.04 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.1 122.01 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 7' ' ' THR . 18.4 m -126.91 63.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -147.47 119.82 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -142.1 -53.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.08 63.55 3.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -73.91 142.11 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 0.791 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.18 130.98 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.63 105.45 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.636 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.6 m-85 -75.86 109.61 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.56 162.12 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -121.26 156.31 32.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 -30.81 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.54 94.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -156.29 127.89 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.25 48.98 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -146.52 110.51 4.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -37.94 89.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.83 -41.74 57.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.001 HG22 ' OE1' ' A' ' 28' ' ' GLN . 17.3 mt -68.56 -57.78 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -48.61 -53.26 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.23 -57.22 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 27.5 mt-30 -50.3 -42.73 53.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.001 ' OE1' HG22 ' A' ' 24' ' ' ILE . 7.8 mt-30 -62.63 -54.11 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -43.2 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -59.7 -65.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HG2' ' A' ' 69' ' ' PRO . 67.1 t -40.15 -58.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.8 p -54.12 -44.8 71.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -58.38 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 30' ' ' GLU . 3.0 mt -54.65 -49.76 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 mt -56.07 -47.78 77.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -46.13 86.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.42 -48.31 79.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -68.21 -11.11 58.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.27 49.69 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -92.42 151.93 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.6 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 8.7 p90 -148.89 173.89 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.77 121.83 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.86 108.93 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' A' ' 53' ' ' LEU . 55.3 t -94.63 110.94 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.1 t0 -79.92 106.38 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 pt -71.55 -38.4 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -52.97 58.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -39.35 -64.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.695 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -103.99 112.92 26.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -50.81 -39.3 52.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -48.37 -55.98 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 50' ' ' ASP . 5.7 mt -40.39 -57.23 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -38.59 -44.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.94 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -38.75 -57.51 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.542 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 12.1 tmm? -50.93 -58.92 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 6.7 mtp180 -45.0 -51.38 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.82 -56.17 24.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.35 -58.44 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.66 -50.86 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.36 39.98 0.98 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -176.03 128.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 40.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' THR . . . -97.14 167.42 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 66' ' ' ALA . 36.6 p -156.22 160.88 30.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.02 27.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.013 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -157.33 118.38 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.34 133.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' TYR . 14.2 t -136.99 143.01 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 m120 -115.68 105.92 13.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.03 -85.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ASN . 9.8 m-20 -133.42 20.3 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' O ' HG13 ' A' ' 72' ' ' VAL . 88.6 m-70 -114.2 150.4 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -104.13 114.2 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 72.1 m -74.6 -67.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.92 -147.05 11.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -115.43 -171.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 31.3 t80 -58.4 -37.94 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.48 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.84 -45.06 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.9 t80 -53.89 -48.82 69.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -44.23 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.09 -47.27 53.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -73.18 -57.3 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' PHE . 54.5 t -40.02 -47.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.72 -47.64 80.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -69.93 -9.31 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.1 t0 74.04 13.72 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -105.58 39.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.78 HD11 ' CE1' ' A' ' 84' ' ' PHE . 66.3 tp -67.94 -29.14 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.77 -38.9 73.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.89 -52.45 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 34.7 t80 -46.93 -48.0 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.98 -168.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.96 50.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.65 -49.29 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -126.55 110.79 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 74.53 -59.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -169.88 35.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.86 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.74 112.74 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -127.2 141.17 51.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.28 121.58 20.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.3 p -144.85 160.2 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.11 70.74 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -74.94 144.73 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -139.89 123.5 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -104.55 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HG3' ' A' ' 57' ' ' MET . 25.6 m-85 -76.21 99.66 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -126.61 144.37 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -99.97 141.94 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -86.35 -54.02 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.67 111.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -161.33 119.5 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.44 49.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 136.47 41.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -90.87 -37.78 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -42.12 53.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.7 mt -54.66 -64.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -42.52 -57.95 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.524 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 35.3 mt-30 -51.48 -46.2 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 19.3 mt-30 -61.77 -61.78 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -41.08 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.12 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 27' ' ' GLN . 72.6 t -39.81 -57.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.5 p -53.58 -43.22 68.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.428 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' GLU . 12.5 ttp180 -55.72 -53.32 58.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -59.57 -47.52 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 40' ' ' ILE . 63.4 mt -57.63 -45.2 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -61.11 -47.6 85.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -46.4 94.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -68.96 -10.15 55.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 38.68 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 35' ' ' LEU . 72.2 mt -84.2 138.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.96 117.63 24.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.73 ' HE1' HD12 ' A' ' 44' ' ' LEU . 21.4 p90 -148.06 -178.19 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -133.85 118.24 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.24 109.6 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -96.91 122.08 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.584 ' O ' HD13 ' A' ' 53' ' ' LEU . 26.7 t0 -90.97 106.84 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.71 -14.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -78.21 -25.93 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -46.13 89.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.07 129.23 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -36.16 76.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -50.06 -54.31 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 46' ' ' ASP . 7.3 mt -40.12 -59.25 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.22 -45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.8 t70 -74.67 -62.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -38.52 -56.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 21.7 ttp -52.72 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -45.77 -44.08 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -45.98 91.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.36 -52.05 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.04 75.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.07 28.7 9.66 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -159.1 133.91 5.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.42 10.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 32.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 72.85 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.3 p -68.93 160.98 75.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.455 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.1 Cg_endo -75.02 167.17 27.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.05 174.9 50.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.29 113.93 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.5 132.94 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -134.45 140.85 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.3 t-20 -114.88 105.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.28 -85.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' ASN . 5.4 p30 -130.89 7.76 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' O ' HG13 ' A' ' 72' ' ' VAL . 85.4 m-70 -99.5 153.66 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -108.53 105.51 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.11 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.79 -156.24 28.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -107.96 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 12.8 t80 -47.24 -37.21 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.33 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -43.72 -46.39 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.6 t80 -53.67 -53.59 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -57.69 -47.28 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -51.06 -49.61 60.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -72.1 -59.03 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 93' ' ' LEU . 12.4 t -42.18 -57.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.98 -42.85 90.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -72.75 -4.17 29.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' ALA . 40.6 m-20 63.25 31.25 15.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.4 p -123.56 25.24 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 88' ' ' VAL . 66.0 tp -54.24 -35.24 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.97 -32.96 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.81 -53.24 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.795 ' CD1' HD22 ' A' ' 83' ' ' LEU . 17.1 t80 -45.34 -57.35 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.437 ' HB2' HD13 ' A' ' 99' ' ' LEU . 27.6 mt -62.77 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 73' ' ' ASN . 3.4 mptt -118.42 41.42 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -94.78 -48.69 5.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.43 136.83 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.97 164.47 25.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -146.89 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.0 -61.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.63 141.91 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 m -109.85 114.95 28.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.82 116.22 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -146.64 134.09 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.26 71.07 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -74.18 132.97 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -133.58 130.19 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.59 98.77 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 72' ' ' VAL . 28.8 m-85 -72.97 100.62 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.12 169.95 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -126.55 145.25 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -53.39 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -95.18 115.7 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 25' ' ' LYS . 2.8 t -158.16 121.02 3.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.0 56.76 3.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.1 m -118.86 -44.19 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' SER . 4.9 tpp180 83.86 -49.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.38 -49.82 38.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.05 -56.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD2' HG23 ' A' ' 19' ' ' THR . 23.3 mtpt -40.87 -58.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -39.65 -59.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.4 mt-30 -49.3 -44.11 43.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' THR . 19.8 mt-30 -64.8 -53.23 50.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -43.94 81.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -59.3 -66.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 27' ' ' GLN . 74.6 t -39.71 -58.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' GLN . 80.5 p -54.51 -40.61 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 ttt-85 -56.87 -56.64 19.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -57.67 -48.87 82.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 40' ' ' ILE . 54.5 mt -56.52 -49.07 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -51.28 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.34 -45.65 95.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -67.27 -12.27 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 41.0 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 35' ' ' LEU . 83.0 mt -84.25 139.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 108.01 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.561 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.0 p90 -145.95 169.9 17.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -127.6 122.27 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -74.2 113.58 11.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -101.74 108.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.54 107.46 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' ASP . 37.8 pt -72.98 -38.31 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -21.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' ILE . 26.5 mm-40 -55.64 -47.42 76.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.7 t0 -134.46 173.69 11.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -90.64 -38.35 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.21 -21.3 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.5 mm? -63.43 -71.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' LEU . 51.5 ttp180 -36.92 -58.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.8 -58.37 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.55 -51.03 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ttp -58.72 -42.67 89.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -59.31 -47.7 84.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -60.59 -43.04 97.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.57 -53.02 60.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.22 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.36 39.98 0.6 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.7 t30 -170.91 131.72 0.85 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.03 6.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -93.5 39.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -93.97 162.34 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -148.72 160.93 34.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.0 167.43 27.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.968 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -157.77 114.25 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' SG ' ' A' ' 78' ' ' CYS . 3.3 mp -87.4 132.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.4 t -135.27 141.38 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 5.7 t-20 -117.29 105.95 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.37 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.1 m-80 -133.16 21.07 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 72' ' ' VAL . 89.0 m-70 -115.05 156.21 25.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -111.09 106.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 71' ' ' ILE . 45.5 m -62.15 -67.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.21 -149.71 16.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -114.24 174.32 6.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 t80 -44.84 -40.56 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.2 -64.8 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.5 mp -46.78 -45.99 20.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.7 t80 -52.49 -51.56 58.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -60.0 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 mm-40 -46.71 -51.1 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -68.18 -59.39 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.059 HG22 HD22 ' A' ' 93' ' ' LEU . 12.8 t -40.44 -51.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.11 -42.66 98.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 92' ' ' THR . 84.2 mm-40 -79.68 2.65 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 m-20 60.17 23.23 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' GLN . 18.1 p -109.76 27.61 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.059 HD22 HG22 ' A' ' 88' ' ' VAL . 15.9 tp -59.35 -28.6 66.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -71.5 -37.91 71.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.9 -56.99 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 31.1 t80 -43.25 -49.58 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.85 175.0 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -90.22 47.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.4 mt -101.48 -48.15 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -60.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 140.11 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -169.97 12.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.45 -67.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 75.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -111.76 98.44 7.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.23 106.51 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -146.24 140.33 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.83 74.77 0.71 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.24 130.19 39.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.81 132.18 45.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.65 98.98 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' A' ' 45' ' ' VAL . 47.1 m-85 -73.84 101.42 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.3 142.12 51.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.441 HG23 ' HB ' ' A' ' 19' ' ' THR . 14.6 t -102.78 138.42 39.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -90.97 -33.86 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 48' ' ' SER . 10.8 m -94.47 88.85 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 16' ' ' THR . 1.5 t -142.61 135.63 28.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.45 23.48 28.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -96.79 -21.43 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.038 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLU . 8.9 mtm180 64.39 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -37.29 -45.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.4 mt -54.65 -55.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -40.85 -59.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -56.37 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 16.2 mt-30 -51.0 -39.12 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 16' ' ' THR . 19.8 mt-30 -69.27 -47.22 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -42.52 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -58.16 -65.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -41.39 -57.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 44' ' ' LEU . 15.6 p -55.71 -36.21 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -61.18 -56.34 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 38' ' ' LYS . 2.8 mt -57.36 -47.85 83.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.56 -45.39 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.72 -52.74 64.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.57 -38.09 94.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 93' ' ' LEU . 6.5 mttm -75.2 -3.22 31.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 55.34 35.22 24.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -86.89 138.16 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -94.36 125.8 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 26.4 p90 -148.97 -174.43 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . 12.5 tt0 -132.97 115.04 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -73.21 115.18 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 14' ' ' TYR . 52.2 t -96.06 117.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 48' ' ' SER . 19.1 t0 -89.19 111.95 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' ASP . 19.8 pt -87.23 -18.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.74 ' HB2' HG22 ' A' ' 18' ' ' VAL . 59.7 p -68.18 -8.14 36.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -78.14 -50.56 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.89 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -130.63 157.53 42.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -78.67 -40.02 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.33 -25.26 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -62.09 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -36.74 -57.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.37 -55.27 22.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.28 -52.17 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.1 ttp -58.9 -44.4 91.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -57.65 -44.29 85.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -64.87 -50.36 66.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.81 -55.48 22.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.94 68.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.71 38.49 1.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 t30 -164.34 127.91 1.75 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -30.89 6.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -93.98 41.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.13 164.64 12.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 p -149.94 161.09 32.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.99 166.84 28.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 -179.32 26.26 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.986 0.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 114.04 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 11' ' ' LEU . 3.4 mp -88.48 131.44 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.3 t -134.92 140.99 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.1 t-20 -116.55 106.01 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.77 -86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -132.07 19.28 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -112.85 157.29 21.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -114.73 108.43 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 34.4 m -66.35 -69.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.18 -152.61 21.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -109.05 176.62 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.801 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.7 t80 -46.72 -37.46 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' O ' HG12 ' A' ' 85' ' ' VAL . 19.2 mt-10 -58.66 -60.51 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 4.5 mp -50.22 -41.84 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 93' ' ' LEU . 20.0 t80 -58.59 -49.81 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -61.68 -38.59 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.73 -47.65 83.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -69.0 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 HD22 ' A' ' 93' ' ' LEU . 4.2 t -42.73 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.28 -59.73 5.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.6 mm-40 -53.0 -20.25 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.8 t0 81.5 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.1 p -125.44 41.28 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.887 HD22 HG22 ' A' ' 88' ' ' VAL . 25.2 tp -66.41 -25.87 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.35 -38.37 63.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -55.13 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 31.9 t80 -44.95 -52.12 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.55 176.82 7.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' HE2' ' CG ' ' A' ' 76' ' ' HIS . 1.1 tptt -91.19 48.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.65 -49.71 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.245 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 148.03 42.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.83 107.42 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.06 167.59 42.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.88 136.62 47.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.4 82.2 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.5 p -119.85 144.0 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.78 150.45 40.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -168.24 142.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.2 92.15 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.13 126.5 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -132.38 126.5 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' OG ' ' A' ' 15' ' ' SER . 76.8 t -113.85 99.64 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -76.93 98.07 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' OG ' HG12 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -125.48 148.07 48.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.947 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -95.76 133.45 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -75.88 -58.22 3.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.49 117.7 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -160.98 143.12 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.363 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.48 61.11 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -158.76 83.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -42.82 -44.79 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -55.39 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 72.0 mt -52.36 -61.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.8 mtmm -40.25 -61.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -39.21 -55.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.8 mt-30 -53.33 -42.89 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' THR . 18.4 mt-30 -66.97 -41.14 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -42.34 74.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -59.46 -66.52 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' GLN . 95.4 t -39.79 -56.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.653 HG21 HD11 ' A' ' 44' ' ' LEU . 18.5 p -55.19 -43.11 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 17.1 ttp85 -55.1 -53.82 51.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.8 mt -58.94 -51.87 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 35' ' ' LEU . 37.1 mt -54.0 -39.73 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.38 -45.62 79.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.0 -39.87 95.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -70.71 -8.64 53.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 63.16 32.24 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.9 mt -84.8 147.96 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -99.35 124.46 44.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.673 ' HE1' HD12 ' A' ' 44' ' ' LEU . 31.6 p90 -148.95 -174.79 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -136.33 117.86 14.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.673 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -73.15 113.72 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -97.25 114.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 48' ' ' SER . 44.6 t0 -84.36 120.25 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASP . 16.6 pt -96.73 -22.53 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -65.23 -10.51 32.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -76.02 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.901 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -120.53 157.53 29.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.94 -40.55 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.18 -26.95 12.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.901 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -59.76 -71.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' LEU . 41.8 ttt180 -37.5 -57.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -51.41 -50.36 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.33 -54.72 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 57' ' ' MET . 10.8 tmm? -56.47 -49.97 73.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -52.38 -55.52 21.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -51.19 -50.52 58.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.98 -50.41 73.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -54.45 -49.5 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.5 27.03 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -165.24 127.72 1.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -28.04 9.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.97 167.73 10.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 p -150.6 159.58 34.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.03 166.93 28.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.98 175.52 47.48 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.014 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.9 120.46 7.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.2 mt -95.82 136.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.04 132.72 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 1.6 t-20 -121.27 104.83 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.44 44.02 93.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 72.32 29.83 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 5.9 m-70 -116.55 104.93 11.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.534 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 12.5 t80 -62.51 104.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 93.4 m -70.49 -61.78 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.29 37.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -100.92 171.74 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 2.5 t80 -45.05 -39.3 5.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.55 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.55 -49.05 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.84 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.5 t80 -50.66 -53.22 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -58.0 -46.53 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 6.6 mt-10 -50.8 -46.85 59.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.15 -56.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 93' ' ' LEU . 4.9 t -41.41 -58.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.41 -47.83 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 54.3 mm-40 -58.72 -17.05 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 14.9 t0 77.13 22.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -127.03 42.84 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE1' ' A' ' 84' ' ' PHE . 27.1 tp -67.23 -23.01 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -71.8 -36.01 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -50.38 42.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 23.5 t80 -48.39 -56.96 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.84 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -121.38 43.6 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.62 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.59 140.16 24.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -94.96 151.26 19.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -103.81 2.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.43 129.73 6.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.93 133.49 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 t -68.24 142.81 55.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.57 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 m -111.54 143.75 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.74 77.31 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD11 ' CG2' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.14 135.52 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.07 129.39 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -109.55 105.03 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 72' ' ' VAL . 24.2 m-85 -76.05 99.96 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -119.46 172.39 7.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -128.43 159.76 34.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -113.01 -42.37 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.65 87.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -132.36 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.17 44.57 96.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 m -109.52 -12.25 14.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 64.29 -75.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -42.48 -54.72 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.84 HG22 ' OE1' ' A' ' 28' ' ' GLN . 37.8 mt -53.79 -62.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -41.27 -49.95 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.03 -57.25 7.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 20.5 mt-30 -51.63 -36.42 45.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.84 ' OE1' HG22 ' A' ' 24' ' ' ILE . 22.1 mt-30 -66.79 -49.18 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -63.19 -41.89 99.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -54.17 -65.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG12 HD22 ' A' ' 35' ' ' LEU . 63.4 t -47.37 -57.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.51 HG21 HD11 ' A' ' 44' ' ' LEU . 11.0 p -50.64 -29.68 11.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -67.88 -57.73 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -59.03 -53.81 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 31' ' ' VAL . 1.7 mp -50.24 -33.69 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -77.97 -43.94 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.92 72.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -70.78 -6.93 41.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 0.806 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.21 38.72 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -75.73 148.79 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.52 108.7 20.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 35' ' ' LEU . 4.7 p90 -148.37 170.01 18.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -129.06 131.78 47.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -79.33 115.03 18.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.9 115.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HD13 ' A' ' 53' ' ' LEU . 53.5 t0 -83.84 106.73 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.73 -35.72 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -50.77 59.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -43.26 -64.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -103.49 113.02 26.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -51.35 -42.6 61.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.39 -55.64 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 50' ' ' ASP . 8.5 mt -41.04 -55.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.72 -43.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.08 -59.97 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.24 -43.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 27.8 ttp -61.22 -50.24 73.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -53.66 -52.17 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -55.92 -51.24 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.35 -57.85 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -52.53 -59.24 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.06 42.96 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 8.7 t30 -171.57 132.14 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.28 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.54 38.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.1 166.37 14.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 66' ' ' ALA . 39.7 p -152.76 160.05 31.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -75.01 167.15 27.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 -176.24 17.66 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.011 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.68 114.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.8 mp -88.03 132.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 14' ' ' TYR . 11.8 t -136.17 143.82 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 11' ' ' LEU . 11.1 t-20 -120.02 105.26 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 -89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 73' ' ' ASN . 19.2 t-20 -127.95 19.66 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.526 ' O ' HG13 ' A' ' 72' ' ' VAL . 97.3 m-70 -113.99 151.91 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 10.1 t80 -104.78 100.73 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.543 ' SG ' HG22 ' A' ' 71' ' ' ILE . 61.5 m -56.64 -72.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.5 -158.23 31.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -106.5 173.8 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 7.7 t80 -48.25 -37.32 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LEU . 40.9 mt-10 -58.2 -68.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD23 ' HE1' ' A' ' 96' ' ' PHE . 2.2 mp -40.09 -52.91 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.871 ' CE1' HD11 ' A' ' 93' ' ' LEU . 35.2 t80 -44.04 -57.34 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -51.77 -48.45 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -50.74 -50.89 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.72 -60.64 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' LEU . 37.6 t -41.06 -47.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.21 -45.24 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -67.43 -9.89 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' ALA . 4.6 t70 72.03 27.78 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.5 p -125.29 35.83 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.9 tp -62.17 -25.01 67.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.03 -42.55 57.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.63 -46.97 80.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.523 ' HE1' HD23 ' A' ' 83' ' ' LEU . 28.3 t80 -51.65 -54.5 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.99 -177.53 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' CB ' ' CG ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -95.09 49.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -102.53 -48.72 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.29 106.68 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.946 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.51 147.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.55 121.57 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.91 158.92 25.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.38 81.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 7' ' ' THR . 18.0 m -100.35 59.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 126.77 28.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -168.09 134.54 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.77 74.31 2.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.85 129.45 37.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -132.75 129.15 38.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.13 98.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 72' ' ' VAL . 31.6 m-85 -71.61 99.07 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -120.53 163.26 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -124.7 156.64 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 -37.97 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.19 136.19 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -177.59 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.69 -51.04 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.34 114.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -47.93 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -46.57 -47.1 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.913 HG22 ' OE1' ' A' ' 28' ' ' GLN . 23.2 mt -60.3 -62.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -45.23 -59.23 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -58.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 52.5 mt-30 -48.2 -41.86 28.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.913 ' OE1' HG22 ' A' ' 24' ' ' ILE . 15.5 mt-30 -63.69 -51.71 63.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -45.24 87.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 mt-10 -58.63 -63.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 69' ' ' PRO . 42.4 t -40.15 -58.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 HD11 ' A' ' 44' ' ' LEU . 3.9 p -54.37 -41.62 69.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -56.08 -58.52 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -56.38 -50.47 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 84' ' ' PHE . 47.5 mt -58.63 -32.9 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' THR . 23.5 t70 -73.52 -39.84 64.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.08 61.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 44.57 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HD23 ' A' ' 35' ' ' LEU . 87.0 mt -90.01 141.89 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 110.4 19.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 12.4 p90 -142.07 176.98 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -131.15 126.48 35.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.33 110.21 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -95.52 113.81 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 53' ' ' LEU . 24.8 t70 -85.2 106.88 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 pt -75.99 -32.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 p -58.62 -27.9 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -59.42 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 106.7 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -42.47 -34.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -52.33 -53.98 37.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.5 mt -40.61 -58.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.6 ttt85 -38.31 -45.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ARG . 23.0 t0 -74.57 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.8 mt-10 -38.73 -41.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -64.48 -48.17 76.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -55.3 -49.42 72.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -58.33 -53.9 53.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.7 mt -53.8 -57.29 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.6 28.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.42 32.49 1.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -161.24 132.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.18 6.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -97.89 48.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . . . -95.08 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' ALA . 17.6 p -154.93 158.36 32.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.3 Cg_endo -74.97 167.21 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.99 178.79 33.13 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.977 -0.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.51 113.81 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 11' ' ' LEU . 2.9 mt -89.92 139.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.1 t -144.89 133.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 4.0 t-20 -121.21 107.92 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 55.33 37.96 67.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER 79.39 29.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 6.9 m-70 -114.18 106.5 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.13 100.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 64.5 m -66.65 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.93 -170.23 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -89.59 175.08 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.882 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.4 t80 -48.13 -45.21 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.41 -52.91 51.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.45 -51.77 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.3 t80 -51.12 -56.65 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.8 t -56.17 -61.02 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.05 -51.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -65.98 -54.66 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.712 ' CG2' HD13 ' A' ' 93' ' ' LEU . 54.1 t -44.91 -48.11 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.79 -46.46 89.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -78.22 -1.59 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 3.8 t0 67.35 13.02 9.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.2 p -94.72 27.82 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 ' CG2' ' A' ' 88' ' ' VAL . 40.4 tp -61.47 -30.4 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.895 ' HA ' HD23 ' A' ' 99' ' ' LEU . 20.9 mp0 -70.69 -57.34 4.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.69 -25.83 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 19.9 t80 -66.79 -55.31 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.872 ' HB2' HD21 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -83.5 -146.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.789 ' C ' HD13 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -128.3 75.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -124.58 -44.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 65.1 153.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.0 93.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.62 132.34 5.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.63 155.96 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.85 162.53 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.9 m -131.39 -60.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.8 mtp -106.07 147.71 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -122.33 104.29 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.92 84.11 0.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.1 141.32 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.91 136.53 40.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 44.2 t -115.14 99.57 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.03 100.7 4.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' OG ' HD21 ' A' ' 44' ' ' LEU . 89.0 p -113.76 175.57 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.518 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.6 t -125.09 121.1 33.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 t -70.7 -33.68 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' VAL . 1.8 p -112.54 115.63 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -162.01 136.78 7.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.94 50.05 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.38 91.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -39.8 -46.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -62.17 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 57.8 mt -42.87 -67.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' ILE . 30.4 mtmt -40.24 -60.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -56.11 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.2 mt-30 -52.22 -44.66 64.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 32' ' ' THR . 18.7 mt-30 -64.39 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -38.38 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.826 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -65.38 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 27' ' ' GLN . 54.9 t -40.38 -57.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 28' ' ' GLN . 41.0 p -55.76 -42.72 75.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -57.33 -56.21 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -57.32 -45.95 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD23 HD12 ' A' ' 40' ' ' ILE . 50.3 mt -60.57 -42.8 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.12 -53.09 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.67 -42.1 94.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.44 -10.25 59.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 61.25 42.17 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 35' ' ' LEU . 81.2 mt -88.0 139.84 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.0 109.29 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' LEU . 6.6 p90 -148.8 171.33 16.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -132.9 121.22 22.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -72.43 122.58 21.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 44' ' ' LEU . 87.4 t -107.53 140.07 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' O ' HD13 ' A' ' 53' ' ' LEU . 57.6 t0 -104.6 108.06 19.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.518 HD11 ' HB ' ' A' ' 16' ' ' THR . 12.0 pt -71.79 -36.05 57.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -59.1 -18.13 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -68.85 -24.46 64.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -157.81 114.64 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -46.17 -34.2 4.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.09 -53.11 29.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 46' ' ' ASP . 14.6 mt -42.96 -57.29 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' LEU . 36.8 ttt180 -38.21 -45.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.9 t70 -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -38.03 -42.0 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 16.8 tmm? -66.81 -49.52 65.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -54.82 -46.94 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -59.79 -49.75 76.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.69 -50.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.71 30.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.43 42.5 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 25.0 t30 -173.68 132.61 0.58 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.38 6.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 36.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -88.37 156.51 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 p -144.41 161.01 46.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.99 167.08 27.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.9 14.94 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.05 114.35 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 HD11 ' A' ' 11' ' ' LEU . 3.2 mp -88.36 129.42 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 76' ' ' HIS . 10.0 t -134.06 142.42 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.526 ' HA ' HD22 ' A' ' 11' ' ' LEU . 7.6 t-20 -117.98 105.91 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.9 -84.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p-10 -133.08 9.42 4.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.631 ' O ' HG13 ' A' ' 72' ' ' VAL . 92.1 m-70 -102.15 157.32 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -111.98 104.82 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 71' ' ' ILE . 36.4 m -62.52 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.78 -157.71 29.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.52 171.45 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 33.6 t80 -43.62 -44.0 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.25 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.504 HD23 ' HE1' ' A' ' 96' ' ' PHE . 3.7 mp -51.78 -45.81 63.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 93' ' ' LEU . 21.7 t80 -53.61 -53.73 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -56.69 -48.99 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 tt0 -48.32 -52.18 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -64.59 -59.32 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.993 HG23 HD13 ' A' ' 93' ' ' LEU . 20.7 t -42.0 -47.38 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.19 -58.21 9.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 91.3 mm-40 -61.68 -13.8 25.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 2.3 t70 80.66 10.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 34.9 p -103.04 46.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 88' ' ' VAL . 28.2 tp -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.3 -34.32 72.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.24 -53.44 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' HE1' HD23 ' A' ' 83' ' ' LEU . 34.0 t80 -46.88 -53.21 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.9 -178.51 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 49.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.7 mt -101.91 -48.68 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -154.36 168.97 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 81.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -132.61 3.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.56 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.89 92.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -162.98 124.83 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.19 117.14 29.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.6 p -144.78 157.54 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.18 81.3 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -74.03 127.47 32.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -133.06 128.07 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.14 99.61 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -75.08 94.37 2.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.98 162.78 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -120.36 153.39 36.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.41 -36.32 4.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 18' ' ' VAL . 11.1 m -83.21 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 25' ' ' LYS . 9.8 t -127.84 162.29 27.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.12 -48.36 0.49 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 m -51.31 125.24 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.53 -35.84 73.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.22 -52.86 32.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.894 HG22 ' OE1' ' A' ' 28' ' ' GLN . 48.0 mt -52.9 -58.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' THR . 1.4 mtpm? -48.16 -58.65 4.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -55.68 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.9 mt-30 -52.1 -42.41 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.894 ' OE1' HG22 ' A' ' 24' ' ' ILE . 17.5 mt-30 -64.62 -56.76 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -53.8 -44.43 70.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' GLN . 39.7 t -40.96 -58.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 44' ' ' LEU . 32.8 p -55.29 -42.56 73.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' HE1' ' A' ' 84' ' ' PHE . 3.3 mt -50.45 -52.03 16.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 HD12 ' A' ' 40' ' ' ILE . 55.4 mt -55.41 -40.73 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -62.16 -55.56 27.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.74 96.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.88 -9.98 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 56.35 50.07 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD23 ' A' ' 35' ' ' LEU . 83.2 mt -93.55 141.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 110.38 18.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' HE1' HD12 ' A' ' 44' ' ' LEU . 5.5 p90 -148.6 170.85 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -126.98 128.15 45.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -76.85 115.53 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.9 t -101.33 125.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.556 ' O ' HD13 ' A' ' 53' ' ' LEU . 45.9 t0 -95.2 112.6 24.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 pt -78.53 -30.64 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 18' ' ' VAL . 25.9 p -62.84 -18.33 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.89 -55.8 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -119.29 115.23 23.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.45 -34.45 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . -51.8 -57.65 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.7 mt -40.27 -57.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.41 -44.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' ARG . 4.4 t70 -77.76 -62.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -38.77 -46.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.8 ttp -59.48 -45.83 90.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -62.9 -45.14 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -53.22 -58.13 8.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -55.32 -54.38 44.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -34.94 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.87 40.15 5.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.6 t30 -174.04 128.61 0.47 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -31.14 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.12 40.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' C ' HG23 ' A' ' 67' ' ' THR . . . -95.23 172.09 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 66' ' ' ALA . 42.0 p -155.42 160.65 30.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.01 167.21 27.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 -177.13 19.63 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.011 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.08 113.86 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.866 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.9 mp -88.97 137.2 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 76' ' ' HIS . 5.5 t -139.09 146.49 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.7 t-20 -121.09 105.47 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.78 -86.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -131.12 21.43 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' O ' HG13 ' A' ' 72' ' ' VAL . 87.8 m-70 -115.54 150.53 36.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 6.4 t80 -101.42 108.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.866 ' SG ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -60.79 -72.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 160.45 -166.05 35.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -87.87 168.99 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.2 t80 -47.35 -46.66 25.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -50.18 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.784 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -54.93 -53.31 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 88' ' ' VAL . 60.4 t80 -50.35 -59.49 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.2 t -53.82 -58.88 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.02 -54.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -60.67 3.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 93' ' ' LEU . 41.6 t -40.92 -47.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.77 -44.47 89.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -69.83 -7.97 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.12 31.24 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.8 p -131.24 36.49 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 88' ' ' VAL . 19.7 tp -58.67 -41.84 87.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.31 -45.67 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 -57.85 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.784 ' CE1' HD22 ' A' ' 83' ' ' LEU . 30.6 t80 -49.02 -40.39 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.758 ' HB2' HD23 ' A' ' 99' ' ' LEU . 82.5 mt -78.82 -156.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.69 ' C ' HD22 ' A' ' 99' ' ' LEU . 10.6 mptt -127.93 59.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -112.12 -48.61 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.59 86.68 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.056 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -120.26 115.4 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.13 -110.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.48 73.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.73 . . . . 0.0 109.245 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.78 163.07 29.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -137.24 143.18 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.67 103.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -137.33 120.12 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.92 76.61 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -74.27 128.18 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -131.77 127.62 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.37 99.67 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -75.46 101.88 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.73 148.94 48.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.517 ' HB ' HD11 ' A' ' 47' ' ' ILE . 15.0 t -98.78 142.52 30.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -54.52 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 19' ' ' THR . 62.1 t -94.47 128.78 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 18' ' ' VAL . 5.3 t -176.11 141.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 48.11 1.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.766 ' OG ' HD12 ' A' ' 24' ' ' ILE . 1.8 p -142.27 86.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.21 -48.73 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.69 -41.21 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.766 HD12 ' OG ' ' A' ' 21' ' ' SER . 47.5 mt -67.81 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -58.16 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -55.23 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 39.2 mt-30 -49.98 -42.25 48.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' THR . 19.9 mt-30 -65.96 -56.01 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -44.34 73.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -59.41 -60.15 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HD2' ' A' ' 81' ' ' TYR . 16.0 t -40.26 -58.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 28' ' ' GLN . 37.3 p -58.85 -39.57 81.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -52.49 65.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.3 mp -61.52 -48.07 90.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HE1' ' A' ' 84' ' ' PHE . 56.3 mt -59.77 -39.69 85.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.38 -47.3 79.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.88 -39.11 85.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -68.43 -13.68 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.74 40.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 35' ' ' LEU . 85.5 mt -88.33 141.82 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.95 110.67 19.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HE1' HD12 ' A' ' 44' ' ' LEU . 10.0 p90 -146.68 174.15 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -131.37 137.33 48.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -82.17 116.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.5 t -99.16 108.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -83.63 106.82 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HB ' ' A' ' 16' ' ' THR . 7.5 pt -72.64 -42.9 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 p -42.31 -26.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 47' ' ' ILE . 3.9 mm-40 -52.63 -38.04 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.871 ' HB3' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.08 161.91 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -80.18 -38.9 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -21.63 22.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 50' ' ' ASP . 4.4 mm? -64.6 -71.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ttm180 -37.73 -57.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -55.0 -51.48 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.6 -50.85 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 57' ' ' MET . 18.4 tmm? -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -59.02 -43.32 91.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -65.57 -46.53 79.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.21 -50.7 72.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.92 -57.61 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.85 40.23 0.53 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 32.9 t30 -173.04 129.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.14 6.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 41.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' C ' HG23 ' A' ' 67' ' ' THR . . . -96.43 170.27 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 66' ' ' ALA . 21.8 p -154.27 161.4 29.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -75.02 167.2 27.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.95 -175.1 15.31 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.024 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.49 113.99 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG22 ' SG ' ' A' ' 78' ' ' CYS . 4.5 mp -88.13 133.47 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 76' ' ' HIS . 6.5 t -134.29 142.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.584 ' OD1' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -114.32 105.09 12.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.41 -84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ASN . 11.1 p-10 -132.39 8.81 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 95.9 m-70 -103.84 155.74 18.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -102.61 104.63 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 71' ' ' ILE . 65.8 m -57.97 -72.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 167.22 -156.19 27.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' OD1' HD13 ' A' ' 83' ' ' LEU . 3.4 p-10 -102.42 172.59 6.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' VAL . 13.6 t80 -48.11 -53.26 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -50.36 -47.24 56.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' OD1' ' A' ' 80' ' ' ASP . 6.7 mp -60.24 -50.83 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.574 ' HB2' HD13 ' A' ' 71' ' ' ILE . 58.8 t80 -52.76 -57.97 8.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 81' ' ' TYR . 7.5 t -50.49 -60.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -56.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -58.09 -51.95 67.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.687 HG23 HD13 ' A' ' 93' ' ' LEU . 37.1 t -46.88 -59.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.93 -59.72 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 65.8 mm-40 -46.06 -24.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.3 t0 81.42 26.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -132.46 42.73 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 88' ' ' VAL . 7.3 tp -65.32 -37.91 88.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.38 -27.68 38.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.65 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' A' ' 78' ' ' CYS . 16.8 t80 -40.85 -43.98 2.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 99' ' ' LEU . 11.7 mt -74.88 -160.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.26 40.67 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 97' ' ' LEU . 7.1 mp -97.12 -44.27 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -152.06 103.75 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.01 -59.46 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.0 124.07 6.98 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.05 78.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.98 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -126.6 86.59 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 146.25 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 p -172.84 160.71 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.54 79.18 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.04 143.21 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -135.41 143.32 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.743 ' O ' HD13 ' A' ' 44' ' ' LEU . 73.4 t -118.77 100.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CE1' HG21 ' A' ' 72' ' ' VAL . 25.4 m-85 -74.56 95.7 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.683 ' OG ' HD12 ' A' ' 44' ' ' LEU . 89.6 p -113.53 -179.77 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.49 157.2 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -32.94 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -120.35 128.71 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -165.66 -48.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 19' ' ' THR . . . 91.46 -42.4 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -54.11 109.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -47.38 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -63.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.5 mt -41.53 -68.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -41.77 -51.75 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -50.44 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 54.7 mt-30 -53.78 -38.54 64.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' THR . 15.8 mt-30 -71.32 -39.04 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.07 -39.71 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.61 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.839 HG12 HD22 ' A' ' 35' ' ' LEU . 69.3 t -43.81 -59.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 28' ' ' GLN . 38.2 p -47.51 -38.38 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -59.44 -55.55 33.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.6 mp -59.96 -54.5 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD22 HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.7 -36.4 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -69.94 -47.09 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.66 -45.82 87.18 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' HG22 ' A' ' 34' ' ' ILE . 8.5 mttt -70.05 -7.91 44.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 55.17 40.75 31.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.31 151.85 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.56 109.37 20.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HE1' HD23 ' A' ' 44' ' ' LEU . 6.7 p90 -148.88 171.22 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.79 127.55 19.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.09 150.16 44.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.19 124.37 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -86.73 106.43 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.25 -44.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 p -48.37 -38.28 18.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -60.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.56 116.23 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -47.16 -33.88 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.17 -56.45 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . 9.6 mt -40.57 -57.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' LEU . 5.3 ttt-85 -38.23 -44.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.99 -61.61 1.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.77 -44.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.9 ttp -61.97 -50.95 70.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -51.98 -51.93 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 m -56.72 -53.9 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.72 -56.19 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 77' ' ' TYR . . . -54.44 -58.06 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 42.33 0.45 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 30.1 t30 -172.06 132.25 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -31.12 6.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -94.01 32.83 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -83.22 156.28 23.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -142.01 158.4 61.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -74.98 167.23 27.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -74.97 -174.57 14.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.003 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.98 113.79 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.729 HG22 ' SG ' ' A' ' 78' ' ' CYS . 2.7 mp -87.1 132.0 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 76' ' ' HIS . 7.4 t -134.67 146.07 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASN . 10.7 t-20 -121.42 105.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.88 -87.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.7 t-20 -130.35 17.97 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 94.4 m-70 -111.48 156.81 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 61' ' ' ALA . 25.3 t80 -111.16 115.69 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.729 ' SG ' HG22 ' A' ' 71' ' ' ILE . 28.2 m -73.1 -68.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 108.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 159.73 -163.34 33.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.92 172.91 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 0.0 109.241 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' GLN . 1.7 t80 -49.82 -43.52 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.93 -52.13 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -51.59 -50.43 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.931 ' CE1' HD11 ' A' ' 93' ' ' LEU . 34.8 t80 -48.88 -59.49 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.2 -48.56 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -49.86 -55.06 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.97 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.113 HG23 HD13 ' A' ' 93' ' ' LEU . 42.1 t -50.52 -43.1 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.94 -42.3 76.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.52 1.24 19.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 59.98 36.23 21.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -128.59 31.98 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.113 HD13 HG23 ' A' ' 88' ' ' VAL . 23.5 tp -61.5 -30.23 70.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -38.64 76.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.21 -53.41 20.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 41.5 t80 -44.73 -48.03 10.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.75 -177.18 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 73' ' ' ASN . 6.8 tptp -97.67 46.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.52 -48.27 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -132.84 153.04 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -141.81 155.04 45.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.51 -70.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.46 162.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -107.64 175.99 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 t -162.04 119.93 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mtm -98.66 92.94 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -106.29 144.67 32.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.59 75.15 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.22 136.42 42.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -133.27 127.51 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.78 99.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -76.32 98.99 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.66 139.12 54.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 19' ' ' THR . 10.1 t -98.94 147.7 24.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.8 t -88.48 -48.82 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' THR . 51.7 t -51.34 -60.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.714 ' HB ' HG23 ' A' ' 16' ' ' THR . 14.4 t 31.65 88.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.38 -33.24 7.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.13 173.62 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -110.46 -36.68 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -42.6 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -44.49 -56.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -40.99 -60.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' LYS . 3.2 m -39.12 -57.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' CE2' ' A' ' 81' ' ' TYR . 50.2 mt-30 -51.11 -43.5 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . 18.8 mt-30 -66.36 -49.76 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.6 OUTLIER -61.27 -42.35 98.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -55.1 -68.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG12 HD22 ' A' ' 35' ' ' LEU . 72.9 t -42.73 -58.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 44' ' ' LEU . 10.3 p -49.79 -32.59 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.4 ttt-85 -65.67 -57.74 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.4 mp -58.27 -54.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -48.28 -30.87 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -49.39 17.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.87 99.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG3' HG22 ' A' ' 34' ' ' ILE . 11.5 mttt -73.45 -4.64 34.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 56.16 34.44 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.93 140.4 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 109.48 17.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' HE1' HD12 ' A' ' 44' ' ' LEU . 3.9 p90 -147.18 169.01 20.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -131.15 131.19 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -76.23 116.49 16.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 53' ' ' LEU . 54.7 t -103.13 119.15 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' O ' HD13 ' A' ' 53' ' ' LEU . 39.9 t0 -87.96 106.43 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 16' ' ' THR . 26.8 pt -74.24 -38.42 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' OG ' HG23 ' A' ' 18' ' ' VAL . 28.5 t -53.75 -41.54 67.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -49.18 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.572 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.88 117.97 35.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -50.75 -40.79 55.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.43 -56.16 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 46' ' ' ASP . 6.4 mt -40.39 -58.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' LEU . 13.7 ttt180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.19 -57.58 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.92 -46.69 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -59.72 -57.65 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -48.12 -52.79 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.61 -60.01 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.04 -53.12 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -53.85 44.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.83 34.75 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -172.75 128.94 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -31.15 6.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.27 43.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' C ' HG23 ' A' ' 67' ' ' THR . . . -100.22 174.92 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 66' ' ' ALA . 41.2 p -155.63 160.79 30.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HG2' HG22 ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.02 166.73 28.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 -177.02 19.29 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.53 114.13 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 HD11 ' A' ' 11' ' ' LEU . 2.8 mp -88.87 125.07 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 76' ' ' HIS . 21.8 t -127.7 141.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.581 ' HA ' HD22 ' A' ' 11' ' ' LEU . 4.5 t-20 -119.04 104.72 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 36.99 63.74 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER 85.76 -45.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 47.3 m-70 -54.76 155.91 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 79' ' ' GLY . 24.0 t80 -114.2 136.48 52.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 33.5 m -97.67 -61.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 77' ' ' TYR . . . 161.01 -153.06 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -110.53 172.41 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 19.6 t80 -42.69 -43.05 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . 1.2 mp -41.3 -54.52 2.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 1.046 ' CE1' HD11 ' A' ' 93' ' ' LEU . 33.8 t80 -46.69 -63.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -45.35 -47.55 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tt0 -51.66 -56.54 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -61.37 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 HD13 ' A' ' 93' ' ' LEU . 41.5 t -44.16 -47.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.63 -47.13 79.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -67.0 -11.73 57.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 73.01 29.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -126.11 30.7 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.046 HD11 ' CE1' ' A' ' 84' ' ' PHE . 25.4 tp -55.75 -32.37 63.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -68.11 -37.63 81.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -69.1 -49.78 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 36.5 t80 -50.15 -57.67 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.75 -156.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -121.65 52.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.14 -50.31 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -97.51 97.88 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -151.03 85.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.55 53.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.32 106.92 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.39 144.68 40.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -25.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtt 51.34 85.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -108.61 162.56 14.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.08 74.04 0.45 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -74.03 143.87 45.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -144.36 136.97 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 44' ' ' LEU . 53.0 t -114.1 109.84 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 72' ' ' VAL . 17.1 m-85 -82.81 110.38 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.532 ' OG ' HD11 ' A' ' 44' ' ' LEU . 1.7 p -123.5 -178.55 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -138.86 131.0 28.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.67 -45.29 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.61 102.63 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -164.84 148.44 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.32 -51.46 1.72 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -49.4 107.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -62.43 -36.67 83.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.37 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LYS . 50.9 mt -48.25 -66.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ILE . 7.4 mtmt -39.68 -57.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.77 -51.85 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 64.4 mt-30 -54.7 -41.59 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 15' ' ' SER . 16.8 mt-30 -68.18 -47.18 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.18 89.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.88 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' GLN . 82.2 t -40.5 -52.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -59.94 -40.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 ttt85 -57.83 -54.91 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' GLU . 2.7 mt -57.7 -49.41 80.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 mt -54.66 -36.21 64.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.41 -39.44 93.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.76 30.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' HG22 ' A' ' 34' ' ' ILE . 7.1 mttm -64.63 -16.1 62.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 5.8 mmm180 62.88 31.66 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.35 148.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.84 110.69 21.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -143.12 174.33 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.72 127.27 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -72.35 145.36 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.77 114.78 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' CG ' ' A' ' 49' ' ' GLN . 25.8 t0 -81.58 106.04 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 pt -73.13 -32.98 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -63.18 -24.35 67.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CG ' ' OD2' ' A' ' 46' ' ' ASP . 1.1 mm-40 -64.66 -49.42 71.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.07 112.27 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -47.51 -35.0 8.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.37 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 50' ' ' ASP . 7.0 mt -39.96 -58.98 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LEU . 9.2 ttt180 -37.95 -44.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.97 -62.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.58 -49.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 35.8 ttp -60.66 -47.93 84.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -50.55 62.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -58.58 -59.81 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 mt -45.17 -56.53 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HA ' ' CG ' ' A' ' 77' ' ' TYR . . . -50.96 -57.38 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.08 36.41 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 21.9 t30 -168.18 129.48 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.01 6.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -95.48 44.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . . . -97.55 165.03 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 p -149.11 159.22 37.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 69' ' ' PRO . 18.2 Cg_endo -75.02 167.26 27.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.0 -177.48 20.64 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.011 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 113.83 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 11' ' ' LEU . 3.7 mp -85.94 132.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.03 135.94 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.544 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 10.4 t-20 -119.6 109.84 16.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 46.77 38.04 9.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 9.2 t30 83.61 28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 73' ' ' ASN . 28.2 m-70 -116.37 98.71 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 61' ' ' ALA . 22.3 t80 -58.82 110.14 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 95.6 m -76.86 -60.63 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.18 -163.99 36.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -95.86 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 3.5 t80 -51.0 -37.36 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.56 -62.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mp -47.2 -47.38 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.62 -52.64 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.09 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -63.14 -52.89 60.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.17 -48.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.12 -42.87 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.49 -10.47 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER 69.95 12.15 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -105.96 18.1 22.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.3 tm? -46.9 -42.93 18.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.82 -26.14 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -54.57 5.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 78' ' ' CYS . 37.1 t80 -48.8 -61.47 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.785 ' CD1' HD11 ' A' ' 93' ' ' LEU . 78.5 mt -60.74 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CB ' ' ND2' ' A' ' 73' ' ' ASN . 3.5 tptt -106.86 53.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.97 -46.34 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -165.31 85.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 162.95 26.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 127.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.22 120.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.23 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.01 144.6 32.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.71 157.78 44.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.69 155.48 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.92 72.87 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -73.87 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.1 mtt180 -142.53 143.17 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.859 ' HB ' HD22 ' A' ' 44' ' ' LEU . 57.9 t -119.26 103.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 72' ' ' VAL . 26.0 m-85 -78.39 91.53 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.661 ' OG ' HD12 ' A' ' 44' ' ' LEU . 90.0 p -104.76 178.02 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.555 ' HB ' HD11 ' A' ' 47' ' ' ILE . 1.9 t -130.72 135.98 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -83.99 -38.05 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG12 ' OG ' ' A' ' 48' ' ' SER . 2.0 p -106.89 119.14 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -169.33 136.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.67 51.77 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 94.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -45.77 -44.94 14.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.7 -57.29 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' LYS . 51.2 mt -50.92 -65.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mtmm -39.66 -60.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -57.31 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.7 mt-30 -47.25 -43.21 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' THR . 16.9 mt-30 -66.13 -60.62 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 -36.83 14.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -67.44 -63.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' GLN . 56.1 t -40.1 -52.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.741 HG22 HD21 ' A' ' 44' ' ' LEU . 61.6 p -61.19 -42.41 98.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -54.1 -57.19 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.1 -51.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.1 mt -53.83 -25.58 20.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -36.16 61.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.47 -47.26 10.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -62.07 -18.95 62.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.03 34.11 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.3 mt -82.55 148.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -83.87 111.6 19.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.618 ' HE1' HD23 ' A' ' 44' ' ' LEU . 14.8 p90 -145.98 173.67 11.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -144.0 127.38 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD22 ' HB ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.46 149.77 43.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.07 121.34 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.32 106.15 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 16' ' ' THR . 11.7 pt -71.44 -49.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.581 ' OG ' HG12 ' A' ' 18' ' ' VAL . 43.7 t -45.02 -41.43 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -44.05 -55.49 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.79 124.07 41.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -53.36 -40.97 65.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.68 -37.02 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 47' ' ' ILE . 8.5 mt -69.84 -53.03 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -55.6 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.48 -50.48 67.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -45.99 -59.44 2.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.401 ' SD ' ' OE1' ' A' ' 70' ' ' GLN . 7.4 ttp -44.07 -57.94 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 7.5 mtp180 -49.04 -59.27 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -46.47 -54.26 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -49.17 -52.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.23 71.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 38.88 4.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -174.65 134.04 0.52 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.03 -30.14 7.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.08 -14.0 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' THR . . . -47.76 158.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' ALA . 2.1 p -152.12 162.33 26.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 18.4 Cg_endo -74.97 167.3 27.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.539 1.81 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.03 -177.54 20.84 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.01 0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' OE1' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -158.17 115.98 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 11' ' ' LEU . 3.0 mp -89.51 135.09 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 14' ' ' TYR . 2.0 t -138.73 135.28 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 8.8 t-20 -120.42 112.23 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ASN . . . 45.29 37.34 6.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.6 t-20 82.52 29.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 16.9 m-70 -116.38 98.87 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.44 107.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 74.4 m -73.2 -60.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.03 -165.38 37.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -96.19 167.5 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 9.8 t80 -42.51 -41.78 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.05 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mp -47.98 -47.67 32.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -49.42 -46.95 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.2 mm-40 -49.08 -60.26 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 93' ' ' LEU . . . -60.98 -60.81 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.4 t -39.98 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.63 -40.99 96.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 92' ' ' THR . 39.3 mm-40 -72.19 -3.04 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' ALA . 60.1 m-20 60.51 23.03 12.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 90' ' ' GLN . 22.6 p -118.11 18.1 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.954 HD11 ' CD1' ' A' ' 97' ' ' LEU . 2.8 tm? -50.8 -39.52 53.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -50.71 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 78' ' ' CYS . 39.7 t80 -50.67 -61.46 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.954 ' CD1' HD11 ' A' ' 93' ' ' LEU . 81.5 mt -60.8 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -107.47 52.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 97' ' ' LEU . 6.9 mp -108.23 -47.64 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 stop_ save_