data_2hrj_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 2hrj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.57 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 82' ' ' TYR . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' SER . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HG2' ' A' ' 118' ' ' LYS . 1.5 m170 -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' HA2' ' CG2' ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 74' ' ' LEU . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.408 ' CG2' ' HA2' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.448 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.554 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 77' ' ' PHE . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.435 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 113' ' ' LEU . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.606 ' NE2' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.445 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.409 HD21 ' CD2' ' A' ' 67' ' ' HIS . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' ASN . 1.0 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.445 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.503 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 50' ' ' PHE . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 78' ' ' LEU . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 106' ' ' ALA . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.574 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' CD2' ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.652 ' CD2' ' CD2' ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 HG12 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 57' ' ' ILE . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 50' ' ' PHE . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 117' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.515 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.405 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.44 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.44 ' CZ ' HG13 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' HH ' ' A' ' 82' ' ' TYR . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG1' ' HB1' ' A' ' 106' ' ' ALA . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HH ' ' N ' ' A' ' 44' ' ' PHE . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 57' ' ' ILE . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 ' CB ' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 77.2 t60 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 83' ' ' ILE . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HG3' ' ND2' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 82' ' ' TYR . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 61' ' ' PRO . 16.0 t-20 -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 50' ' ' PHE . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 54' ' ' GLN . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' CG2' ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 74' ' ' LEU . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 115' ' ' ARG . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CB ' HD22 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CE1' HD23 ' A' ' 113' ' ' LEU . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 106' ' ' ALA . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 50' ' ' PHE . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.552 ' NH2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.552 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.55 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.5 t60 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE2' ' CG ' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CG ' ' CE2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.552 HD21 ' CE1' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD13 ' CG ' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.597 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' OH ' ' A' ' 82' ' ' TYR . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 77' ' ' PHE . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 109' ' ' ARG . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' SG ' ' CD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.473 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 78.4 t60 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' LEU . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HA ' ' NE2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' A' ' 91' ' ' ILE . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 77.5 t60 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' TYR . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 91' ' ' ILE . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.541 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 51' ' ' ALA . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.541 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.452 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' HG3' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CB ' HD13 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.457 HD13 ' CB ' ' A' ' 78' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.44 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 113' ' ' LEU . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD12 ' CD2' ' A' ' 50' ' ' PHE . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' CB ' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.454 ' CE1' HD21 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.462 ' CG1' ' HB2' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' LYS . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.583 ' SG ' ' CD2' ' A' ' 53' ' ' TYR . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 50' ' ' PHE . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 109' ' ' ARG . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' A' ' 113' ' ' LEU . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' CB ' HD12 ' A' ' 83' ' ' ILE . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.0 m120 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' A' ' 50' ' ' PHE . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -158.69 142.56 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -137.74 65.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.92 175.58 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -167.99 132.47 1.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.29 138.64 52.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.04 130.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 100.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.52 85.45 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.67 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 99.75 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 m -128.97 90.88 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.22 170.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -73.65 127.61 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.07 -28.95 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.47 -8.61 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -42.95 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -42.57 -48.41 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.57 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 82' ' ' TYR . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -70.35 96.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.3 t -102.65 153.94 19.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.57 135.26 43.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.0 p 38.73 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tp -156.12 150.47 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.62 -47.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -177.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -55.51 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 60.53 158.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 173.44 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.7 137.1 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.21 165.66 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 t80 54.23 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.03 123.9 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -175.28 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' C ' ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt-30 -123.11 33.44 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.75 -20.27 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.1 -8.93 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -114.18 -38.78 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.1 p -50.03 -40.34 44.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp -60.02 88.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.6 t -126.57 123.14 37.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.35 116.77 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -92.03 175.1 6.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.88 172.43 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.61 149.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -178.21 142.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.25 151.28 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.45 147.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.97 162.71 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -117.03 144.13 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -115.32 163.89 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -168.83 129.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.11 163.29 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.02 110.61 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -160.51 32.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -83.62 -23.2 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.56 -13.52 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.37 -28.52 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -1.91 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' SER . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.435 ' HE ' ' NE2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -67.0 145.87 54.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.1 p -118.01 -57.57 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -100.69 165.18 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -168.09 177.71 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt 62.02 120.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.72 120.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.97 -177.01 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -122.97 177.61 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.64 179.05 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.96 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -178.24 128.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -179.57 168.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -176.49 172.33 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p 178.66 174.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HB3' ' CE ' ' A' ' 112' ' ' LYS . 0.3 OUTLIER -159.95 142.9 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 1.6 mp0 42.37 75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -21.9 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.08 -11.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.0 -27.4 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.238 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.42 -56.06 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HG2' ' A' ' 118' ' ' LYS . 1.5 m170 -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' HA2' ' CG2' ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 74' ' ' LEU . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.408 ' CG2' ' HA2' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.448 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.554 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -98.96 112.01 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -99.93 177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -88.8 118.31 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.048 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -157.91 152.65 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.93 172.99 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.04 -179.74 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 172.88 7.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.72 121.99 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -112.64 131.67 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.63 141.68 50.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -178.81 111.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 10' ' ' PHE . 49.8 p90 -95.67 109.95 22.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.98 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -72.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -178.97 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 72.12 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -59.45 -27.9 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -81.48 3.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -52.95 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -52.88 63.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 77' ' ' PHE . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.19 132.7 39.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.1 t -118.83 66.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -85.26 105.93 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 15.2 t -173.08 161.58 4.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.1 OUTLIER 82.64 111.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -175.34 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -174.39 155.08 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.73 143.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.27 146.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -170.14 152.77 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -177.98 158.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 2.5 t80 -178.47 160.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -173.44 167.0 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.45 78.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.2 p30 173.14 162.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 68.9 -63.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 t30 -55.85 -24.56 37.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.45 -8.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 -32.02 6.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -62.7 -20.69 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.08 160.17 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.4 p -132.67 59.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.1 -53.09 37.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.03 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 64.4 145.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.1 -62.39 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.21 169.96 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -120.36 -43.47 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER 174.27 -68.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -148.34 179.9 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -169.35 133.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -175.93 149.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.86 150.99 31.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.9 p -110.17 120.81 43.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.72 138.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 42.23 54.08 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -70.55 -27.49 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -69.91 -8.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.94 -33.69 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -57.61 -47.51 81.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 113' ' ' LEU . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.606 ' NE2' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.409 HD21 ' CD2' ' A' ' 67' ' ' HIS . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CD2' HD21 ' A' ' 63' ' ' ASN . 1.0 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.503 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 50' ' ' PHE . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 136.08 38.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.65 -38.5 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 120' ' ' TYR . 0.3 OUTLIER -74.55 121.09 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m 40.31 60.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.47 126.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -45.86 -64.74 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp 55.64 95.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 15.9 ptt180 -117.01 119.42 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.76 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 159.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.58 170.19 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -113.42 152.05 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -38.46 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.66 115.9 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.44 120.75 43.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.55 53.17 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -99.77 -25.99 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.15 -9.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -52.59 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 31.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 78' ' ' LEU . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 106' ' ' ALA . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.574 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' CD2' ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.652 ' CD2' ' CD2' ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 HG12 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 57' ' ' ILE . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 50' ' ' PHE . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 117' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -88.24 126.74 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 119' ' ' THR . 7.3 t -79.38 107.05 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.47 145.54 36.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -130.75 133.02 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 160.51 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.71 144.53 31.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' O ' ' C ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -93.49 -56.13 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 24.97 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 140.08 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.67 80.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.88 147.16 37.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.12 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.4 99.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -116.55 87.63 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.42 160.77 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 42.53 61.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -93.87 -34.71 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.88 -7.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.66 -34.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -50.75 -47.09 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.515 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.405 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.44 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.44 ' CZ ' HG13 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.57 161.3 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.0 t -101.59 138.12 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 115.69 22.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.55 117.54 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.82 161.62 35.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 166.64 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 tp -83.88 79.04 9.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.04 138.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.99 164.05 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -137.3 -68.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -143.6 118.27 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 52.66 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -83.23 172.38 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -110.07 105.3 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.42 94.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 179.97 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -58.64 -24.04 60.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -70.25 -9.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.09 -31.92 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p -56.05 -40.83 74.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' HH ' ' A' ' 82' ' ' TYR . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG1' ' HB1' ' A' ' 106' ' ' ALA . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' OE1' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HH ' ' N ' ' A' ' 44' ' ' PHE . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 57' ' ' ILE . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -42.66 140.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 75.3 p -112.84 108.55 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -71.33 147.96 47.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -39.13 148.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 mp -47.23 119.17 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.93 65.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.43 120.16 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -80.28 78.98 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -174.45 34.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -96.44 -43.5 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 56.07 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 59.79 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 91.25 8.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.38 78.96 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -169.86 65.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -150.54 -69.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -91.64 -27.23 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.38 -7.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.01 -30.9 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -56.92 -43.86 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 ' CB ' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 77.2 t60 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 83' ' ' ILE . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -111.69 117.47 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.25 153.32 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.5 p -102.31 -51.7 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp 42.24 82.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -122.49 151.93 40.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.54 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.05 164.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 62.25 134.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.77 135.87 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t80 57.6 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 9' ' ' PHE . 10.6 m-85 -157.86 61.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.83 112.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.31 168.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -129.75 146.32 51.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.21 42.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -20.99 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.8 t -72.36 -6.25 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -92.52 14.85 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' HA ' ' CG ' ' A' ' 103' ' ' GLU . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HG3' ' ND2' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 82' ' ' TYR . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 82' ' ' TYR . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 61' ' ' PRO . 16.0 t-20 -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 50' ' ' PHE . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -42.9 163.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.6 p -109.24 -52.47 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.32 164.46 13.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 m -141.4 148.5 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 139.11 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.03 133.94 52.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.77 74.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -163.25 151.18 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.11 133.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.8 109.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.36 108.66 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.16 96.69 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 28.6 p90 -84.48 127.68 34.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.43 -177.0 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -152.49 129.17 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -175.99 47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -20.11 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -58.75 -16.97 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -113.25 -25.88 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.41 1.44 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 54' ' ' GLN . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' CG2' ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 74' ' ' LEU . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 115' ' ' ARG . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt -42.38 116.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.8 t -103.44 132.01 50.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -107.12 168.71 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m 56.89 84.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.69 174.55 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.63 -54.75 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tp 44.49 65.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.37 89.07 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.69 -49.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.46 177.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.4 -51.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -45.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -79.04 102.22 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -161.49 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 56.37 32.86 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -35.13 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.62 -7.45 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.77 -31.07 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -58.13 -34.52 70.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CB ' HD22 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CE1' HD23 ' A' ' 113' ' ' LEU . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 106' ' ' ALA . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 50' ' ' PHE . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.35 99.15 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.8 t -89.96 173.3 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -50.69 4.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.6 p -148.72 144.93 27.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.82 157.88 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.95 178.09 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.72 165.56 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -158.54 158.73 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -163.64 141.87 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.09 173.03 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.91 170.29 16.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -120.7 165.62 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -105.76 167.61 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.12 162.33 21.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -60.14 100.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -138.42 41.12 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -92.71 -28.32 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.05 -6.79 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.83 -32.44 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p -54.1 -45.62 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.552 ' NH2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.552 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.5 t60 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -97.92 102.62 14.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t -84.17 177.27 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 112.26 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -128.87 71.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mt 54.82 79.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.75 174.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' C ' ' CG ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -121.72 -58.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' CG ' ' C ' ' A' ' 5' ' ' LEU . 9.8 ptm180 37.9 74.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.97 126.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.97 133.34 56.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' SER . 1.3 t80 -108.97 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -52.71 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' PHE . 89.6 p -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -135.95 -66.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 177.75 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -26.48 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.28 -7.77 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 4.0 p-10 -114.01 -35.02 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p -53.75 -42.26 67.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE2' ' CG ' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CG ' ' CE2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.552 HD21 ' CE1' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 143.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.1 p -110.3 126.51 54.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -104.74 149.89 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 t -168.11 -157.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt 64.06 133.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.77 148.67 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.43 145.3 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -160.93 165.44 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.48 162.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.38 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -99.94 164.56 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.64 157.82 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 179.94 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 169.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -123.88 155.72 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.1 -64.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.429 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 1.1 m120 -49.11 -32.31 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -46.73 -25.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.429 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 96.6 p -94.17 36.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD13 ' CG ' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.597 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -61.99 -74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -107.76 138.13 44.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -102.77 24.21 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -120.98 159.86 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.24 177.63 7.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.53 161.86 22.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.36 144.73 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 164.43 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -116.53 164.6 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -133.64 -172.42 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -163.42 164.02 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.85 161.81 40.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -104.97 -178.02 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -175.06 161.56 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.25 101.8 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.51 57.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.47 -32.96 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.48 -7.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.02 -34.24 5.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -53.5 -38.23 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' OH ' ' A' ' 82' ' ' TYR . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 77' ' ' PHE . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 109' ' ' ARG . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.05 136.34 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.2 p -108.87 145.4 35.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -76.51 115.64 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -166.95 118.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -171.17 120.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -178.51 101.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.71 118.35 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -134.21 146.1 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.03 164.6 38.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 2.3 mttp -116.99 162.19 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.8 m-85 -179.31 137.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -145.17 140.24 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.34 129.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -168.88 159.05 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.16 44.39 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -120.45 47.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -21.61 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.17 -8.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.19 -38.42 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -52.23 -34.69 46.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' SG ' ' CD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.473 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 78.4 t60 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' LEU . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HA ' ' NE2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -57.13 143.61 38.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.2 t -118.68 60.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -54.71 116.11 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -171.4 159.9 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tp -43.12 124.11 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 137.78 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.87 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.04 148.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -111.71 -57.81 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 179.77 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -172.69 175.16 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -83.77 139.61 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -46.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m 55.16 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -156.76 -53.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 62.49 42.38 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.75 -36.2 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -69.38 -7.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -113.56 -34.43 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p -52.69 -37.68 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' A' ' 91' ' ' ILE . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 77.5 t60 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' TYR . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -49.16 121.84 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 73.8 p -85.52 137.66 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -94.54 171.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m 61.72 126.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -172.01 73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.67 102.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 110.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 146.98 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.5 -56.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp 67.12 130.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -171.65 155.52 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -146.01 124.46 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -137.75 110.3 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 109.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.46 123.13 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 68.49 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -80.42 -26.11 38.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.63 -3.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -26.77 8.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.49 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 91' ' ' ILE . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.541 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 51' ' ' ALA . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.541 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -52.88 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 137.98 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -94.49 172.4 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -123.06 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -51.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 65.22 93.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt 62.33 163.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -112.09 -179.78 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.71 117.76 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -158.48 170.29 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -160.27 168.97 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.43 110.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 46.63 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.05 127.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.16 117.29 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -165.6 31.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -75.85 -40.59 54.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -70.72 -8.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 -18.71 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -70.85 -37.1 73.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.452 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' HG3' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CB ' HD13 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.457 HD13 ' CB ' ' A' ' 78' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.44 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 113' ' ' LEU . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -50.9 119.1 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.7 p -75.54 95.6 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -100.7 -53.28 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 174.13 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.438 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.61 97.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.57 76.78 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 147.15 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -179.87 153.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.28 137.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 174.77 87.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -164.13 169.57 17.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 60.7 t80 54.92 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -179.41 170.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t 62.71 169.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.57 147.78 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.27 72.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.521 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 4.9 p30 -82.77 -20.25 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.87 -11.52 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -37.41 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 21.9 p -88.3 8.45 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD12 ' CD2' ' A' ' 50' ' ' PHE . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' CB ' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.454 ' CE1' HD21 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.462 ' CG1' ' HB2' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' LYS . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.583 ' SG ' ' CD2' ' A' ' 53' ' ' TYR . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' A' ' 57' ' ' ILE . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 50' ' ' PHE . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -46.0 142.81 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.9 t -107.39 -31.08 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.64 157.16 18.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.977 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -46.88 -49.23 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.08 157.61 26.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.8 -65.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.14 88.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.8 112.3 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.71 107.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -164.35 102.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.52 -51.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.2 164.25 26.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -140.86 175.53 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 69.02 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.956 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.3 t0 75.94 152.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 47.14 26.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 15' ' ' ASN . 3.4 p30 -83.12 -27.15 30.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.59 -8.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 18' ' ' SER . 2.2 p30 -113.9 -43.21 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 16.0 p -43.14 -40.99 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' CD2' ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 109' ' ' ARG . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 103.16 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -126.94 146.71 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -77.39 -51.93 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -137.5 131.8 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.6 160.88 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.49 145.56 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.72 110.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -129.1 -48.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -174.23 168.09 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 142.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -177.78 131.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER 58.62 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 33.8 m-85 -166.1 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m 64.79 119.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.35 161.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.81 39.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -93.63 -25.93 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.38 -10.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.88 -36.45 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -60.77 -25.14 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 114' ' ' ALA . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' A' ' 113' ' ' LEU . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.412 ' CB ' HD12 ' A' ' 83' ' ' ILE . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.0 m120 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' A' ' 50' ' ' PHE . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -71.06 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.3 t -123.86 -41.47 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.7 118.41 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' ASN . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' HD23 ' A' ' 113' ' ' LEU . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HB2' HD21 ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.563 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.859 HD11 HD11 ' A' ' 91' ' ' ILE . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 91' ' ' ILE . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.859 HD11 HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.579 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.877 HG21 HD13 ' A' ' 24' ' ' LEU . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.711 HD23 ' CE1' ' A' ' 50' ' ' PHE . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' HD23 ' A' ' 24' ' ' LEU . 53.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' HB2' ' A' ' 47' ' ' ALA . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 48' ' ' CYS . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 72' ' ' LEU . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 55' ' ' CYS . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 24' ' ' LEU . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 47' ' ' ALA . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.76 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 106' ' ' ALA . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.45 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 86' ' ' LYS . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' HD22 ' A' ' 78' ' ' LEU . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.87 ' NZ ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.87 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 24' ' ' LEU . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 46' ' ' LYS . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.536 HH21 HG21 ' A' ' 35' ' ' ILE . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG21 HH21 ' A' ' 32' ' ' ARG . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.004 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.55 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.741 HG21 ' HE3' ' A' ' 107' ' ' LYS . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 51' ' ' ALA . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.55 HG23 ' CA ' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.741 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.807 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.004 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 46' ' ' LYS . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.757 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 117' ' ' LEU . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 114' ' ' ALA . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.933 ' SG ' HD22 ' A' ' 72' ' ' LEU . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' A' ' 106' ' ' ALA . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.774 ' NE2' HD21 ' A' ' 72' ' ' LEU . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD22 ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.665 ' N ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD23 ' CG1' ' A' ' 42' ' ' VAL . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.893 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 47' ' ' ALA . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.955 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' NE2' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.507 HD11 ' CB ' ' A' ' 106' ' ' ALA . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 69' ' ' PRO . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD11 HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.826 HD11 ' HB1' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' H ' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 HD11 ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.513 ' SG ' ' NE2' ' A' ' 56' ' ' GLN . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.507 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB2' ' A' ' 47' ' ' ALA . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' TYR . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 72' ' ' LEU . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.861 HG21 ' HE3' ' A' ' 107' ' ' LYS . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD13 ' SG ' ' A' ' 55' ' ' CYS . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD2' ' OE1' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 51' ' ' ALA . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 49' ' ' GLU . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.861 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.783 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.545 HG13 ' HG ' ' A' ' 27' ' ' LEU . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.683 ' HG ' HD23 ' A' ' 117' ' ' LEU . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.683 HD23 ' HG ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 25' ' ' ASN . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CD ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD13 ' CD ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.601 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 ' HE3' ' A' ' 107' ' ' LYS . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.497 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.698 ' CD2' HD23 ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.914 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' ILE . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 117' ' ' LEU . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.498 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 25' ' ' ASN . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.755 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.755 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD23 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 106' ' ' ALA . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 74' ' ' LEU . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.721 HG21 HD13 ' A' ' 24' ' ' LEU . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.876 HD23 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 117' ' ' LEU . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' HB2' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.986 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB2' HD21 ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.967 ' HA ' HD13 ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.603 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' PRO . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.967 HD13 ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' A' ' 51' ' ' ALA . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.676 HG21 HD13 ' A' ' 24' ' ' LEU . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 HG11 ' A' ' 42' ' ' VAL . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.603 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 37.5 t-80 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.673 HD22 ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 78' ' ' LEU . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.673 ' CD ' HD22 ' A' ' 74' ' ' LEU . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.505 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.603 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.581 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.678 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.518 ' OE1' HD22 ' A' ' 113' ' ' LEU . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.635 ' SG ' HD21 ' A' ' 72' ' ' LEU . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 ' HE3' ' A' ' 107' ' ' LYS . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD21 ' SG ' ' A' ' 55' ' ' CYS . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' CD2' ' A' ' 74' ' ' LEU . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' OE2' HD13 ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.429 ' O ' HD11 ' A' ' 57' ' ' ILE . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.675 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 24' ' ' LEU . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD22 ' OE1' ' A' ' 49' ' ' GLU . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.992 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ALA . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.885 HG21 ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.885 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.992 HG13 HD12 ' A' ' 27' ' ' LEU . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.721 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ASN . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.711 HH21 HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.711 HG21 HH21 ' A' ' 32' ' ' ARG . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 72' ' ' LEU . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.662 HG21 ' HE2' ' A' ' 107' ' ' LYS . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 77' ' ' PHE . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 82' ' ' TYR . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 75' ' ' LYS . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.662 ' HE2' HG21 ' A' ' 57' ' ' ILE . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.646 HG21 HD13 ' A' ' 24' ' ' LEU . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 26' ' ' LEU . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 91' ' ' ILE . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 41.1 t-80 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' CE ' HD13 ' A' ' 74' ' ' LEU . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 52' ' ' GLY . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.542 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 24' ' ' LEU . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 117' ' ' LEU . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 114' ' ' ALA . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HD13 ' A' ' 36' ' ' LEU . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' NH2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' HB2' HD11 ' A' ' 72' ' ' LEU . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 55' ' ' CYS . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.447 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 24' ' ' LEU . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.751 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH2' ' HA ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE2' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 47' ' ' ALA . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.749 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.731 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 69' ' ' PRO . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD1' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.749 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.768 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.423 ' HE2' ' HA ' ' A' ' 98' ' ' CYS . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.654 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 27' ' ' LEU . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 117' ' ' LEU . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 113' ' ' LEU . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 47' ' ' ALA . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 73' ' ' GLU . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.849 ' N ' HD13 ' A' ' 72' ' ' LEU . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 51' ' ' ALA . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.745 ' HG2' HD11 ' A' ' 74' ' ' LEU . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.458 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 24' ' ' LEU . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' ASN . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' NE ' HD13 ' A' ' 36' ' ' LEU . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' CE2' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' ALA . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE2' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' HG ' ' HD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.846 HG21 ' HE3' ' A' ' 107' ' ' LYS . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.474 ' HD1' ' HG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 36.6 t-80 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.002 HD21 HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.002 HD12 HD21 ' A' ' 74' ' ' LEU . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.74 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.846 ' HE3' HG21 ' A' ' 57' ' ' ILE . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 24' ' ' LEU . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.661 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.584 ' NH1' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' NH1' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 47' ' ' ALA . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.949 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 35.5 t-80 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 64' ' ' GLU . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.705 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLN . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' A' ' 75' ' ' LYS . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.44 HD13 ' HB1' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 57' ' ' ILE . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 24' ' ' LEU . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.949 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.615 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.843 HD13 ' H ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.843 ' H ' HD13 ' A' ' 72' ' ' LEU . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 51' ' ' ALA . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 24' ' ' LEU . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 46' ' ' LYS . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.721 HD21 HH12 ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' ASN . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 114' ' ' ALA . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG12 ' HB3' ' A' ' 117' ' ' LEU . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.551 ' OE1' HD22 ' A' ' 113' ' ' LEU . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.467 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.668 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 69' ' ' PRO . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 51' ' ' ALA . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 24' ' ' LEU . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.551 HD22 ' OE1' ' A' ' 49' ' ' GLU . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 31' ' ' ALA . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.721 HH12 HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.537 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 32' ' ' ARG . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE1' HD23 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.512 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.955 ' SG ' HD22 ' A' ' 72' ' ' LEU . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.955 HD22 ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.842 HD23 ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.842 ' CD2' HD23 ' A' ' 78' ' ' LEU . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 75' ' ' LYS . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.636 ' HA ' HD11 ' A' ' 74' ' ' LEU . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 98' ' ' CYS . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 27' ' ' LEU . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 116' ' ' SER . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE2' HD23 ' A' ' 113' ' ' LEU . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.92 ' SG ' HD21 ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.92 HD21 ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.625 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.487 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' CE2' ' A' ' 50' ' ' PHE . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.646 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ASN . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 32' ' ' ARG . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 117' ' ' LEU . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.431 HG21 ' HE3' ' A' ' 107' ' ' LYS . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 69' ' ' PRO . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 51' ' ' ALA . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 4.7 m-20 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.693 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 27' ' ' LEU . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.596 HD22 ' OE1' ' A' ' 49' ' ' GLU . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.646 ' HB3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -158.69 142.56 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 3' ' ' LEU . 2.0 pp -137.74 65.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.92 175.58 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -167.99 132.47 1.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.29 138.64 52.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.04 130.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 100.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.52 85.45 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.67 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 99.75 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 m -128.97 90.88 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.22 170.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -73.65 127.61 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -101.07 -28.95 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.47 -8.61 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -42.95 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -42.57 -48.41 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' ASN . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' HD23 ' A' ' 113' ' ' LEU . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HB2' HD21 ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.563 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.859 HD11 HD11 ' A' ' 91' ' ' ILE . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 91' ' ' ILE . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.859 HD11 HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.579 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.877 HG21 HD13 ' A' ' 24' ' ' LEU . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.711 HD23 ' CE1' ' A' ' 50' ' ' PHE . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -70.35 96.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.3 t -102.65 153.94 19.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.57 135.26 43.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.0 p 38.73 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' LEU . 7.6 tp -156.12 150.47 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.62 -47.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -177.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -55.51 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 60.53 158.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 173.44 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.7 137.1 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.21 165.66 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 t80 54.23 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.03 123.9 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -175.28 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' C ' ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt-30 -123.11 33.44 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.75 -20.27 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.1 -8.93 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -114.18 -38.78 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' HD23 ' A' ' 24' ' ' LEU . 53.1 p -50.03 -40.34 44.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' HB2' ' A' ' 47' ' ' ALA . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 48' ' ' CYS . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 72' ' ' LEU . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 55' ' ' CYS . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 24' ' ' LEU . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp -60.02 88.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.6 t -126.57 123.14 37.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.35 116.77 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -92.03 175.1 6.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.88 172.43 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.61 149.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -178.21 142.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.25 151.28 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.45 147.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.97 162.71 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -117.03 144.13 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -115.32 163.89 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -168.83 129.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.11 163.29 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.02 110.61 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.51 32.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -83.62 -23.2 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.56 -13.52 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.37 -28.52 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -1.91 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 47' ' ' ALA . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.76 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 106' ' ' ALA . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.45 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 86' ' ' LYS . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' HD22 ' A' ' 78' ' ' LEU . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.87 ' NZ ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.87 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 24' ' ' LEU . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 46' ' ' LYS . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -67.0 145.87 54.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.1 p -118.01 -57.57 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -100.69 165.18 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -168.09 177.71 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt 62.02 120.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.72 120.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ARG . 1.1 pp -170.97 -177.01 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.535 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.0 mmt-85 -122.97 177.61 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.64 179.05 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.96 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -178.24 128.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -179.57 168.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -176.49 172.33 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p 178.66 174.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' CE ' ' A' ' 112' ' ' LYS . 0.3 OUTLIER -159.95 142.9 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 1.6 mp0 42.37 75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -21.9 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.08 -11.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.0 -27.4 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.238 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.42 -56.06 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.536 HH21 HG21 ' A' ' 35' ' ' ILE . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG21 HH21 ' A' ' 32' ' ' ARG . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.004 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.55 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.741 HG21 ' HE3' ' A' ' 107' ' ' LYS . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 51' ' ' ALA . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.55 HG23 ' CA ' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.741 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.807 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.004 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 46' ' ' LYS . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -98.96 112.01 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -99.93 177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -88.8 118.31 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.048 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -157.91 152.65 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.93 172.99 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.04 -179.74 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 172.88 7.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.72 121.99 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -112.64 131.67 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.63 141.68 50.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -178.81 111.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 49.8 p90 -95.67 109.95 22.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.98 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -72.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -178.97 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 72.12 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -59.45 -27.9 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -81.48 3.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -52.95 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -52.88 63.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.757 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 117' ' ' LEU . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 114' ' ' ALA . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.933 ' SG ' HD22 ' A' ' 72' ' ' LEU . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' A' ' 106' ' ' ALA . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.774 ' NE2' HD21 ' A' ' 72' ' ' LEU . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD22 ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.665 ' N ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD23 ' CG1' ' A' ' 42' ' ' VAL . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.19 132.7 39.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 119' ' ' THR . 7.1 t -118.83 66.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -85.26 105.93 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 15.2 t -173.08 161.58 4.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.1 OUTLIER 82.64 111.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -175.34 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' ' 5' ' ' LEU . 5.4 tt -174.39 155.08 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -177.73 143.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.27 146.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -170.14 152.77 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -177.98 158.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 2.5 t80 -178.47 160.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -173.44 167.0 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.45 78.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.2 p30 173.14 162.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 68.9 -63.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 t30 -55.85 -24.56 37.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.45 -8.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 -32.02 6.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -62.7 -20.69 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.893 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 47' ' ' ALA . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.955 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' NE2' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.507 HD11 ' CB ' ' A' ' 106' ' ' ALA . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 69' ' ' PRO . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD11 HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.826 HD11 ' HB1' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' H ' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 HD11 ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.513 ' SG ' ' NE2' ' A' ' 56' ' ' GLN . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.507 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.08 160.17 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.4 p -132.67 59.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.1 -53.09 37.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 58.03 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' N ' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER 64.4 145.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.1 -62.39 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -152.21 169.96 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -120.36 -43.47 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 174.27 -68.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -148.34 179.9 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -169.35 133.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -175.93 149.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.86 150.99 31.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.9 p -110.17 120.81 43.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.72 138.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 42.23 54.08 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -70.55 -27.49 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -69.91 -8.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.94 -33.69 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -57.61 -47.51 81.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB2' ' A' ' 47' ' ' ALA . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' TYR . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 72' ' ' LEU . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.861 HG21 ' HE3' ' A' ' 107' ' ' LYS . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD13 ' SG ' ' A' ' 55' ' ' CYS . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD2' ' OE1' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 51' ' ' ALA . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 49' ' ' GLU . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.861 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.783 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.545 HG13 ' HG ' ' A' ' 27' ' ' LEU . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.683 ' HG ' HD23 ' A' ' 117' ' ' LEU . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.683 HD23 ' HG ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 136.08 38.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.65 -38.5 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 120' ' ' TYR . 0.3 OUTLIER -74.55 121.09 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 2' ' ' THR . 23.4 m 40.31 60.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.47 126.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -45.86 -64.74 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp 55.64 95.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 15.9 ptt180 -117.01 119.42 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.76 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 159.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.58 170.19 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -113.42 152.05 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -38.46 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.66 115.9 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.44 120.75 43.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.55 53.17 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -99.77 -25.99 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.15 -9.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -52.59 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 31.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 25' ' ' ASN . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CD ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD13 ' CD ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.601 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 ' HE3' ' A' ' 107' ' ' LYS . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.497 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.698 ' CD2' HD23 ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.914 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' ILE . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 117' ' ' LEU . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.498 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -88.24 126.74 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 119' ' ' THR . 7.3 t -79.38 107.05 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.47 145.54 36.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -130.75 133.02 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 160.51 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 pt? -144.71 144.53 31.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' O ' ' C ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -93.49 -56.13 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 24.97 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 140.08 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.67 80.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.88 147.16 37.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.12 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.4 99.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -116.55 87.63 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.42 160.77 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 42.53 61.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -93.87 -34.71 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.88 -7.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.66 -34.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -50.75 -47.09 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 25' ' ' ASN . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.755 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.755 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD23 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 106' ' ' ALA . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 74' ' ' LEU . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.721 HG21 HD13 ' A' ' 24' ' ' LEU . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.876 HD23 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 117' ' ' LEU . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.57 161.3 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.0 t -101.59 138.12 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 115.69 22.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.55 117.54 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.82 161.62 35.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 166.64 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 tp -83.88 79.04 9.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.04 138.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.99 164.05 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -137.3 -68.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -143.6 118.27 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 52.66 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -83.23 172.38 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -110.07 105.3 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.42 94.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 179.97 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -58.64 -24.04 60.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -70.25 -9.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.09 -31.92 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p -56.05 -40.83 74.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' HB2' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.986 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB2' HD21 ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.967 ' HA ' HD13 ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.603 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' PRO . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.967 HD13 ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' A' ' 51' ' ' ALA . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.676 HG21 HD13 ' A' ' 24' ' ' LEU . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -42.66 140.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 75.3 p -112.84 108.55 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -71.33 147.96 47.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -39.13 148.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 mp -47.23 119.17 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.93 65.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.43 120.16 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -80.28 78.98 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -174.45 34.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -96.44 -43.5 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 56.07 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 59.79 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 91.25 8.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.38 78.96 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -169.86 65.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -150.54 -69.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -91.64 -27.23 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.38 -7.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.01 -30.9 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -56.92 -43.86 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 HG11 ' A' ' 42' ' ' VAL . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.603 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 37.5 t-80 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.673 HD22 ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 78' ' ' LEU . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.673 ' CD ' HD22 ' A' ' 74' ' ' LEU . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.603 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.581 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -111.69 117.47 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.25 153.32 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.5 p -102.31 -51.7 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp 42.24 82.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 5' ' ' LEU . 1.3 pt? -122.49 151.93 40.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 4' ' ' LEU . 6.1 mp 65.54 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.05 164.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 62.25 134.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.77 135.87 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t80 57.6 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 9' ' ' PHE . 10.6 m-85 -157.86 61.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.83 112.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.31 168.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -129.75 146.32 51.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.21 42.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -20.99 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.8 t -72.36 -6.25 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -92.52 14.85 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' OE1' HD22 ' A' ' 113' ' ' LEU . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.635 ' SG ' HD21 ' A' ' 72' ' ' LEU . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 ' HE3' ' A' ' 107' ' ' LYS . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD21 ' SG ' ' A' ' 55' ' ' CYS . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' CD2' ' A' ' 74' ' ' LEU . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' OE2' HD13 ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.429 ' O ' HD11 ' A' ' 57' ' ' ILE . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.675 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 24' ' ' LEU . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD22 ' OE1' ' A' ' 49' ' ' GLU . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -42.9 163.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.6 p -109.24 -52.47 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.32 164.46 13.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 m -141.4 148.5 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 139.11 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.03 133.94 52.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -176.77 74.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -163.25 151.18 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.11 133.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.8 109.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.36 108.66 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.16 96.69 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 28.6 p90 -84.48 127.68 34.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.43 -177.0 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -152.49 129.17 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -175.99 47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -20.11 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -58.75 -16.97 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -113.25 -25.88 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.41 1.44 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.992 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ALA . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.885 HG21 ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.885 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.992 HG13 HD12 ' A' ' 27' ' ' LEU . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.721 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt -42.38 116.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.8 t -103.44 132.01 50.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -107.12 168.71 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m 56.89 84.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.69 174.55 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.63 -54.75 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tp 44.49 65.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.37 89.07 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.69 -49.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.46 177.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.4 -51.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -45.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -79.04 102.22 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -161.49 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 56.37 32.86 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -35.13 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.62 -7.45 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.77 -31.07 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -58.13 -34.52 70.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ASN . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.711 HH21 HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.711 HG21 HH21 ' A' ' 32' ' ' ARG . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 72' ' ' LEU . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.662 HG21 ' HE2' ' A' ' 107' ' ' LYS . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 77' ' ' PHE . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 82' ' ' TYR . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 75' ' ' LYS . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.662 ' HE2' HG21 ' A' ' 57' ' ' ILE . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.646 HG21 HD13 ' A' ' 24' ' ' LEU . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.35 99.15 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.8 t -89.96 173.3 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -50.69 4.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.6 p -148.72 144.93 27.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.82 157.88 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.95 178.09 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.72 165.56 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -158.54 158.73 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -163.64 141.87 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.09 173.03 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.91 170.29 16.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -120.7 165.62 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -105.76 167.61 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.12 162.33 21.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -60.14 100.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -138.42 41.12 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -92.71 -28.32 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.05 -6.79 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.83 -32.44 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p -54.1 -45.62 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 26' ' ' LEU . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 91' ' ' ILE . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 41.1 t-80 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' CE ' HD13 ' A' ' 74' ' ' LEU . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 52' ' ' GLY . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.542 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 24' ' ' LEU . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 117' ' ' LEU . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 114' ' ' ALA . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -97.92 102.62 14.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t -84.17 177.27 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 112.26 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -128.87 71.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mt 54.82 79.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.75 174.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' C ' ' CG ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -121.72 -58.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' CG ' ' C ' ' A' ' 5' ' ' LEU . 9.8 ptm180 37.9 74.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.97 126.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.97 133.34 56.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' SER . 1.3 t80 -108.97 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -52.71 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' PHE . 89.6 p -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -135.95 -66.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 177.75 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -26.48 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.28 -7.77 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 4.0 p-10 -114.01 -35.02 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p -53.75 -42.26 67.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HD13 ' A' ' 36' ' ' LEU . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' NH2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' HB2' HD11 ' A' ' 72' ' ' LEU . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 55' ' ' CYS . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.447 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 24' ' ' LEU . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.751 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 143.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.1 p -110.3 126.51 54.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -104.74 149.89 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 3' ' ' LEU . 5.8 t -168.11 -157.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' N ' HG23 ' A' ' 2' ' ' THR . 25.4 mt 64.06 133.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -156.77 148.67 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.43 145.3 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -160.93 165.44 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.48 162.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.38 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -99.94 164.56 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.64 157.82 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 179.94 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 169.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB3' HG21 ' A' ' 16' ' ' VAL . 3.1 m-20 -123.88 155.72 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.1 -64.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 1.1 m120 -49.11 -32.31 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 13' ' ' ASP . 15.6 m -46.73 -25.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 96.6 p -94.17 36.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH2' ' HA ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE2' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 47' ' ' ALA . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.749 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.731 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 69' ' ' PRO . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD1' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.749 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.768 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.423 ' HE2' ' HA ' ' A' ' 98' ' ' CYS . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.654 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 27' ' ' LEU . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 117' ' ' LEU . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 113' ' ' LEU . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -61.99 -74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -107.76 138.13 44.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -102.77 24.21 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -120.98 159.86 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.24 177.63 7.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.53 161.86 22.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.36 144.73 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 164.43 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -116.53 164.6 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -133.64 -172.42 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -163.42 164.02 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.85 161.81 40.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -104.97 -178.02 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -175.06 161.56 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.25 101.8 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.51 57.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.47 -32.96 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.48 -7.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.02 -34.24 5.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -53.5 -38.23 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 47' ' ' ALA . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 73' ' ' GLU . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.849 ' N ' HD13 ' A' ' 72' ' ' LEU . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 51' ' ' ALA . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.745 ' HG2' HD11 ' A' ' 74' ' ' LEU . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.458 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 24' ' ' LEU . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.05 136.34 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.2 p -108.87 145.4 35.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -76.51 115.64 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -166.95 118.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -171.17 120.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -178.51 101.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.71 118.35 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -134.21 146.1 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.03 164.6 38.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 2.3 mttp -116.99 162.19 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.8 m-85 -179.31 137.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -145.17 140.24 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.34 129.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -168.88 159.05 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.16 44.39 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -120.45 47.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -21.61 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.17 -8.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.19 -38.42 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -52.23 -34.69 46.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' ASN . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' NE ' HD13 ' A' ' 36' ' ' LEU . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' CE2' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' ALA . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE2' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' HG ' ' HD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.846 HG21 ' HE3' ' A' ' 107' ' ' LYS . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.474 ' HD1' ' HG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 36.6 t-80 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.002 HD21 HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.002 HD12 HD21 ' A' ' 74' ' ' LEU . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.74 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.846 ' HE3' HG21 ' A' ' 57' ' ' ILE . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 24' ' ' LEU . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.661 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 143.61 38.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 119' ' ' THR . 6.2 t -118.68 60.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -54.71 116.11 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -171.4 159.9 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tp -43.12 124.11 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.17 137.78 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER 174.87 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -175.04 148.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -111.71 -57.81 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 179.77 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -172.69 175.16 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -83.77 139.61 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -46.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m 55.16 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -156.76 -53.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 62.49 42.38 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.75 -36.2 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -69.38 -7.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -113.56 -34.43 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p -52.69 -37.68 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.584 ' NH1' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' NH1' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 47' ' ' ALA . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.949 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 35.5 t-80 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 64' ' ' GLU . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.705 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLN . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' A' ' 75' ' ' LYS . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.44 HD13 ' HB1' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 57' ' ' ILE . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 24' ' ' LEU . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.949 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -49.16 121.84 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 73.8 p -85.52 137.66 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -94.54 171.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m 61.72 126.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -172.01 73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.67 102.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 110.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 146.98 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.5 -56.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp 67.12 130.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -171.65 155.52 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -146.01 124.46 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -137.75 110.3 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 109.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.46 123.13 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 68.49 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -80.42 -26.11 38.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.63 -3.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -26.77 8.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.49 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.615 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.843 HD13 ' H ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.843 ' H ' HD13 ' A' ' 72' ' ' LEU . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 51' ' ' ALA . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 24' ' ' LEU . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 46' ' ' LYS . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -52.88 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 137.98 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -94.49 172.4 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -123.06 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -51.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 65.22 93.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt 62.33 163.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -112.09 -179.78 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.71 117.76 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -158.48 170.29 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -160.27 168.97 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.43 110.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 46.63 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.05 127.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.16 117.29 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -165.6 31.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -75.85 -40.59 54.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -70.72 -8.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -112.91 -18.71 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -70.85 -37.1 73.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.721 HD21 HH12 ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' ASN . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 114' ' ' ALA . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG12 ' HB3' ' A' ' 117' ' ' LEU . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.551 ' OE1' HD22 ' A' ' 113' ' ' LEU . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.467 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.668 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 69' ' ' PRO . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 51' ' ' ALA . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 24' ' ' LEU . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.551 HD22 ' OE1' ' A' ' 49' ' ' GLU . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 31' ' ' ALA . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.721 HH12 HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.537 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -50.9 119.1 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.7 p -75.54 95.6 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -100.7 -53.28 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.428 ' C ' HG22 ' A' ' 2' ' ' THR . 16.1 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER 174.13 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.438 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.61 97.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.57 76.78 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 147.15 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -179.87 153.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.28 137.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 174.77 87.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -164.13 169.57 17.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 60.7 t80 54.92 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -179.41 170.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t 62.71 169.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.57 147.78 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.27 72.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 4.9 p30 -82.77 -20.25 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' VAL . 2.4 t -65.87 -11.52 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -37.41 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 21.9 p -88.3 8.45 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 32' ' ' ARG . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE1' HD23 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.512 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.955 ' SG ' HD22 ' A' ' 72' ' ' LEU . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.955 HD22 ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.842 HD23 ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.842 ' CD2' HD23 ' A' ' 78' ' ' LEU . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 75' ' ' LYS . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.636 ' HA ' HD11 ' A' ' 74' ' ' LEU . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 98' ' ' CYS . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 27' ' ' LEU . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 116' ' ' SER . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -46.0 142.81 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.9 t -107.39 -31.08 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.64 157.16 18.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.977 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 3' ' ' LEU . 3.3 t -46.88 -49.23 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 2' ' ' THR . 1.1 pp -161.08 157.61 26.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.8 -65.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.14 88.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.8 112.3 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.71 107.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -164.35 102.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.52 -51.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.2 164.25 26.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -140.86 175.53 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 69.02 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.956 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.3 t0 75.94 152.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 47.14 26.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.12 -27.15 30.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.59 -8.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 18' ' ' SER . 2.2 p30 -113.9 -43.21 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 16.0 p -43.14 -40.99 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE2' HD23 ' A' ' 113' ' ' LEU . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.92 ' SG ' HD21 ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.92 HD21 ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.625 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.487 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' CE2' ' A' ' 50' ' ' PHE . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 103.16 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -126.94 146.71 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -77.39 -51.93 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -137.5 131.8 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.6 160.88 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.49 145.56 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -47.72 110.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -129.1 -48.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -174.23 168.09 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 142.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -177.78 131.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER 58.62 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 33.8 m-85 -166.1 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m 64.79 119.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.35 161.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.81 39.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -93.63 -25.93 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.38 -10.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.88 -36.45 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -60.77 -25.14 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.646 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ASN . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 32' ' ' ARG . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 117' ' ' LEU . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.431 HG21 ' HE3' ' A' ' 107' ' ' LYS . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 69' ' ' PRO . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 51' ' ' ALA . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 4.7 m-20 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.693 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 27' ' ' LEU . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.596 HD22 ' OE1' ' A' ' 49' ' ' GLU . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.646 ' HB3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -71.06 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.3 t -123.86 -41.47 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.7 118.41 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' ASN . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' HD23 ' A' ' 113' ' ' LEU . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HB2' HD21 ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.563 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.859 HD11 HD11 ' A' ' 91' ' ' ILE . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 91' ' ' ILE . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.859 HD11 HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.579 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.877 HG21 HD13 ' A' ' 24' ' ' LEU . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.711 HD23 ' CE1' ' A' ' 50' ' ' PHE . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' HD23 ' A' ' 24' ' ' LEU . 53.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' HB2' ' A' ' 47' ' ' ALA . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 48' ' ' CYS . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 72' ' ' LEU . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 55' ' ' CYS . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 24' ' ' LEU . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 47' ' ' ALA . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.76 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 106' ' ' ALA . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.45 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 86' ' ' LYS . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' HD22 ' A' ' 78' ' ' LEU . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.87 ' NZ ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.87 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 24' ' ' LEU . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 46' ' ' LYS . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.536 HH21 HG21 ' A' ' 35' ' ' ILE . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG21 HH21 ' A' ' 32' ' ' ARG . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CD2' ' HG2' ' A' ' 118' ' ' LYS . 1.5 m170 -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.004 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.55 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.741 HG21 ' HE3' ' A' ' 107' ' ' LYS . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 51' ' ' ALA . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.55 HG23 ' CA ' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.741 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.807 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.004 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 46' ' ' LYS . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.757 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 117' ' ' LEU . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 114' ' ' ALA . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.933 ' SG ' HD22 ' A' ' 72' ' ' LEU . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' A' ' 106' ' ' ALA . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.774 ' NE2' HD21 ' A' ' 72' ' ' LEU . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD22 ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.681 ' C ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.665 ' N ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD23 ' CG1' ' A' ' 42' ' ' VAL . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.893 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 47' ' ' ALA . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.955 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.507 HD11 ' CB ' ' A' ' 106' ' ' ALA . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 69' ' ' PRO . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD11 HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.826 HD11 ' HB1' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' H ' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 HD11 ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.507 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB2' ' A' ' 47' ' ' ALA . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' TYR . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.606 ' NE2' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 72' ' ' LEU . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.861 HG21 ' HE3' ' A' ' 107' ' ' LYS . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.428 HD22 ' CD2' ' A' ' 67' ' ' HIS . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.428 ' CD2' HD22 ' A' ' 63' ' ' ASN . 1.0 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD13 ' SG ' ' A' ' 55' ' ' CYS . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 51' ' ' ALA . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 49' ' ' GLU . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.861 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.783 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.545 HG13 ' HG ' ' A' ' 27' ' ' LEU . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.683 ' HG ' HD23 ' A' ' 117' ' ' LEU . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.683 HD23 ' HG ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 25' ' ' ASN . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CD ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD13 ' CD ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.601 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 ' HE3' ' A' ' 107' ' ' LYS . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.698 ' CD2' HD23 ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.914 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' ILE . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 117' ' ' LEU . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.498 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 25' ' ' ASN . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.755 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.755 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD23 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 106' ' ' ALA . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 74' ' ' LEU . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.721 HG21 HD13 ' A' ' 24' ' ' LEU . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.876 HD23 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 117' ' ' LEU . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' HB2' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.986 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB2' HD21 ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.967 ' HA ' HD13 ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.603 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' PRO . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.967 HD13 ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' A' ' 51' ' ' ALA . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.676 HG21 HD13 ' A' ' 24' ' ' LEU . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 HG11 ' A' ' 42' ' ' VAL . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.603 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 77.2 t60 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.673 HD22 ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 78' ' ' LEU . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.673 ' CD ' HD22 ' A' ' 74' ' ' LEU . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.505 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.603 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.581 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.678 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.518 ' OE1' HD22 ' A' ' 113' ' ' LEU . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.635 ' SG ' HD21 ' A' ' 72' ' ' LEU . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 ' HE3' ' A' ' 107' ' ' LYS . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HG3' ' ND2' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD21 ' SG ' ' A' ' 55' ' ' CYS . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' CD2' ' A' ' 74' ' ' LEU . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' OE2' HD13 ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 61' ' ' PRO . 16.0 t-20 -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.429 ' O ' HD11 ' A' ' 57' ' ' ILE . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.675 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 24' ' ' LEU . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD22 ' OE1' ' A' ' 49' ' ' GLU . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.992 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ALA . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.885 HG21 ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.885 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.992 HG13 HD12 ' A' ' 27' ' ' LEU . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.721 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ASN . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.711 HH21 HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.711 HG21 HH21 ' A' ' 32' ' ' ARG . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 72' ' ' LEU . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.662 HG21 ' HE2' ' A' ' 107' ' ' LYS . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 77' ' ' PHE . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 82' ' ' TYR . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 75' ' ' LYS . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.662 ' HE2' HG21 ' A' ' 57' ' ' ILE . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.646 HG21 HD13 ' A' ' 24' ' ' LEU . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 26' ' ' LEU . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 91' ' ' ILE . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.5 t60 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' CE ' HD13 ' A' ' 74' ' ' LEU . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 52' ' ' GLY . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.542 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 24' ' ' LEU . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 117' ' ' LEU . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 114' ' ' ALA . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE2' ' CG ' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HD13 ' A' ' 36' ' ' LEU . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' NH2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 55' ' ' CYS . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.447 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CG ' ' CE2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 24' ' ' LEU . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.751 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HE ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE2' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 47' ' ' ALA . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.731 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 69' ' ' PRO . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD1' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.597 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.768 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.423 ' HE2' ' HA ' ' A' ' 98' ' ' CYS . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.654 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 27' ' ' LEU . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 117' ' ' LEU . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 113' ' ' LEU . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 47' ' ' ALA . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 73' ' ' GLU . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.849 ' N ' HD13 ' A' ' 72' ' ' LEU . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 51' ' ' ALA . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.745 ' HG2' HD11 ' A' ' 74' ' ' LEU . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.458 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 24' ' ' LEU . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' ASN . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' NE ' HD13 ' A' ' 36' ' ' LEU . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' CE2' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' ALA . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE2' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' HG ' ' HD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.846 HG21 ' HE3' ' A' ' 107' ' ' LYS . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.474 ' HD1' ' HG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 78.4 t60 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.002 HD21 HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.002 HD12 HD21 ' A' ' 74' ' ' LEU . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.74 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.846 ' HE3' HG21 ' A' ' 57' ' ' ILE . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 24' ' ' LEU . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.661 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.584 ' NH1' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' NH1' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 47' ' ' ALA . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.949 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 77.5 t60 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 64' ' ' GLU . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.705 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLN . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' A' ' 75' ' ' LYS . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.44 HD13 ' HB1' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 57' ' ' ILE . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 24' ' ' LEU . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.949 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.615 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.843 HD13 ' H ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.843 ' H ' HD13 ' A' ' 72' ' ' LEU . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 51' ' ' ALA . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 24' ' ' LEU . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 46' ' ' LYS . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.721 HD21 HH12 ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' ASN . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 114' ' ' ALA . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG12 ' HB3' ' A' ' 117' ' ' LEU . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.551 ' OE1' HD22 ' A' ' 113' ' ' LEU . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.467 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.668 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 69' ' ' PRO . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 51' ' ' ALA . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 24' ' ' LEU . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.551 HD22 ' OE1' ' A' ' 49' ' ' GLU . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 31' ' ' ALA . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.721 HH12 HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.537 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 32' ' ' ARG . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE1' HD23 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.512 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.955 ' SG ' HD22 ' A' ' 72' ' ' LEU . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.955 HD22 ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.842 HD23 ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.842 ' CD2' HD23 ' A' ' 78' ' ' LEU . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 75' ' ' LYS . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.636 ' HA ' HD11 ' A' ' 74' ' ' LEU . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 98' ' ' CYS . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 27' ' ' LEU . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 116' ' ' SER . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE2' HD23 ' A' ' 113' ' ' LEU . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.92 ' SG ' HD21 ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.92 HD21 ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.625 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.487 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' CE2' ' A' ' 50' ' ' PHE . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.646 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ASN . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 32' ' ' ARG . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 117' ' ' LEU . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.431 HG21 ' HE3' ' A' ' 107' ' ' LYS . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 69' ' ' PRO . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 51' ' ' ALA . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.0 m120 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.693 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 27' ' ' LEU . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.596 HD22 ' OE1' ' A' ' 49' ' ' GLU . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.646 ' HB3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -158.69 142.56 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 3' ' ' LEU . 2.0 pp -137.74 65.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.92 175.58 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -167.99 132.47 1.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.29 138.64 52.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.04 130.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 100.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.52 85.45 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.67 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 99.75 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 m -128.97 90.88 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.22 170.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -73.65 127.61 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.07 -28.95 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.47 -8.61 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -42.95 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -42.57 -48.41 5.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -56.36 -58.6 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 115.36 21.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.89 11.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.48 -57.5 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -23.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.21 -33.98 37.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.37 -37.38 66.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.15 83.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -47.11 24.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 71.0 t80 -53.1 -45.63 68.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' ASN . 87.1 t -63.41 -53.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -46.79 75.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.41 -50.36 62.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -60.24 -54.94 39.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.39 -45.69 62.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -50.57 -40.49 52.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.17 -50.27 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -35.69 74.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.41 -42.36 95.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.01 49.54 4.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -108.68 -36.38 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -107.45 111.5 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.608 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.37 3.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 11.6 m -73.51 152.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.424 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -60.79 129.29 40.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 5.3 t80 -39.92 -48.05 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.1 80.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.65 -69.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.17 -40.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.6 -52.88 53.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.8 mt-10 -48.07 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' HD23 ' A' ' 113' ' ' LEU . 85.8 m-85 -39.36 -53.08 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.81 -60.25 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.7 -46.19 18.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -67.6 -46.81 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 tt0 -44.46 -53.98 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HB2' HD21 ' A' ' 72' ' ' LEU . 51.0 t -57.32 -46.15 83.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -57.66 -59.39 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.563 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.6 mt -59.86 -29.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -62.96 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -101.5 -58.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.95 160.86 9.21 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.06 0.99 8.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -79.11 55.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -175.73 166.55 3.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -165.0 -53.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -37.94 80.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -81.99 -55.46 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 5.2 t60 -64.48 109.57 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -117.65 154.12 50.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.569 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.97 -12.26 21.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.94 -54.58 2.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.35 -29.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 55' ' ' CYS . 17.5 mt -61.04 157.84 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 mm-40 -108.96 71.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -50.58 -24.54 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' GLU . 28.3 t0 -106.53 21.33 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 1.7 m-85 -130.85 -42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.859 HD11 HD11 ' A' ' 91' ' ' ILE . 1.3 mt -108.49 157.93 35.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.15 40.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -43.53 -54.99 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -38.42 -33.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.777 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -93.16 -46.56 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.2 mt -40.05 -52.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.49 -58.52 6.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.39 -35.82 65.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 7.6 mttt 57.62 68.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 91' ' ' ILE . . . -90.18 82.56 1.36 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -90.34 -64.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -46.35 -24.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -48.48 56.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.859 HD11 HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -47.31 -66.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.31 -52.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 ttt -43.34 -47.05 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -48.18 -46.4 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.593 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -41.51 55.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.66 -49.15 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.5 t -50.8 -55.1 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.7 -104.25 2.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.9 m120 -138.02 47.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.2 ttm -73.09 154.2 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.77 147.94 40.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.45 -33.28 75.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.15 -48.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.3 -27.44 46.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 -40.71 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -63.95 -39.14 93.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.579 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.5 t -57.87 -61.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -52.25 -35.08 48.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.73 -57.74 9.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.877 HG21 HD13 ' A' ' 24' ' ' LEU . 46.4 t -54.83 -51.91 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.711 HD23 ' CE1' ' A' ' 50' ' ' PHE . 8.5 tp -51.95 -57.56 9.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -22.48 60.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -91.16 -3.42 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -95.3 -39.84 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -58.56 -57.46 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -70.35 96.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.3 t -102.65 153.94 19.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.57 135.26 43.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.0 p 38.73 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' LEU . 7.6 tp -156.12 150.47 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.62 -47.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -177.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -55.51 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 60.53 158.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 173.44 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.7 137.1 48.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.21 165.66 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 t80 54.23 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.03 123.9 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -175.28 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' C ' ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt-30 -123.11 33.44 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.75 -20.27 20.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.1 -8.93 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -114.18 -38.78 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' HD23 ' A' ' 24' ' ' LEU . 53.1 p -50.03 -40.34 44.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -62.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.76 123.01 84.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.06 -23.44 13.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.9 -57.93 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.86 -23.88 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.52 -33.81 41.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -73.24 -39.73 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -35.04 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.94 -48.99 56.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -52.44 -47.82 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.32 -56.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -48.73 66.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -56.38 -45.7 80.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' ASN . 22.1 t70 -53.18 -53.94 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -39.78 17.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.6 -52.11 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -30.01 67.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.3 t-20 -68.47 -32.55 72.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.67 46.22 62.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.7 -47.52 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -87.9 134.57 35.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -74.98 78.3 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' HB2' ' A' ' 47' ' ' ALA . 6.1 m -74.69 133.32 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.55 140.26 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -47.47 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.62 -58.27 4.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -48.47 -61.98 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.91 -53.04 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.8 OUTLIER -58.02 -37.37 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -47.66 -58.13 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.243 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 84.1 m-85 -50.53 -51.52 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 48' ' ' CYS . . . -41.21 -46.2 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.31 90.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.85 -15.16 59.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' CG ' ' CE2' ' A' ' 77' ' ' PHE . 1.6 tp60 -71.4 -59.78 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 72' ' ' LEU . 45.1 t -56.24 -44.05 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.8 OUTLIER -58.38 -58.33 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.35 -31.68 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -66.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -99.49 -57.93 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.12 172.47 13.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.4 Cg_endo -74.98 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 41.0 t60 -80.01 53.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -174.94 151.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 173.21 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.74 -32.2 20.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -91.44 -51.65 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.81 45.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -124.74 154.96 70.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.95 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.47 -45.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -60.58 -21.71 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 55' ' ' CYS . 16.0 mt -62.82 141.78 58.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -88.24 75.23 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CB ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -48.56 -23.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -70.89 -39.93 72.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' GLU . 6.7 t70 -111.33 37.97 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE2' ' CG ' ' A' ' 54' ' ' GLN . 2.0 m-85 -137.22 -44.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.46 164.11 24.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.32 42.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -27.41 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -25.72 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -106.23 -40.25 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 75' ' ' LYS . 17.0 mt -39.15 -46.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -62.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -49.08 67.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 74' ' ' LEU . 3.7 mmtt 66.13 73.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.17 94.35 1.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -91.93 -55.98 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 0.79 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -23.97 63.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -78.78 -53.84 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 13.0 mt -45.23 -65.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -38.62 -46.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -45.55 42.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' ILE . . . -58.63 -48.48 80.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -52.86 -38.01 61.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.16 78.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -72.48 -46.87 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.88 -56.62 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -121.66 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 6.5 m120 -114.17 46.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 ttm -72.06 157.53 37.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 136.23 37.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -41.12 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.76 -50.91 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.43 -24.38 65.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.73 21.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -40.18 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -55.32 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.02 -47.68 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 3.8 t80 -45.49 -53.79 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 24' ' ' LEU . 48.0 t -57.68 -59.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -56.25 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 11.5 tp -48.51 -53.72 17.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.93 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -3.08 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -37.74 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.3 -53.14 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 18.8 tttp -60.02 88.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.6 t -126.57 123.14 37.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.35 116.77 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -92.03 175.1 6.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.88 172.43 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.61 149.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -178.21 142.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.25 151.28 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.45 147.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.97 162.71 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -117.03 144.13 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -115.32 163.89 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -168.83 129.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.11 163.29 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.02 110.61 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.453 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -160.51 32.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -83.62 -23.2 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.56 -13.52 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.37 -28.52 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -1.91 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -48.81 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.32 102.48 54.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.83 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.4 -58.95 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -23.85 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -77.59 -39.59 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.42 -36.1 80.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -41.28 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -40.99 63.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.447 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 2.3 t80 -52.26 -33.5 42.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.34 -42.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -50.16 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.94 -40.04 56.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 13.7 ttm180 -67.88 -59.74 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -44.27 -51.64 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -44.11 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.0 -32.7 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -38.17 44.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -62.16 -31.69 72.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.58 35.22 74.33 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -46.03 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.41 116.39 63.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.18 3.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 47' ' ' ALA . 19.4 m -86.85 120.09 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.04 135.96 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 85' ' ' GLN . 3.4 m-30 -38.92 -57.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -52.96 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -53.83 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -44.65 89.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -40.07 -48.99 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.534 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 88.1 m-85 -60.8 -54.24 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.76 -47.57 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.43 -51.55 55.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -63.27 -35.79 81.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.58 -57.24 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.76 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.5 t -54.36 -42.28 70.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.4 tp60 -60.27 -62.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 106' ' ' ALA . 26.2 mt -56.66 -29.84 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.24 -66.73 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.06 -52.17 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.55 177.12 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.45 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.04 54.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -176.01 173.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 179.47 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.61 -34.54 78.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -36.69 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 126.45 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.561 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -134.06 149.21 70.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.538 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.5 Cg_endo -75.0 -13.6 21.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.84 -35.04 9.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.61 -54.5 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -47.39 156.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mt-10 -87.88 73.26 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 86' ' ' LYS . 2.6 pp -51.11 -22.55 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.16 -33.74 43.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.5 t0 -108.67 28.37 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' HD22 ' A' ' 78' ' ' LEU . 1.2 m-85 -126.81 -41.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' A' ' 47' ' ' ALA . 2.2 mm? -116.63 165.15 15.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.02 152.77 41.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -46.04 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -23.5 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.0 m-85 -106.01 -36.57 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -38.36 -55.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -59.25 -43.91 92.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 4.5 mm-40 -96.71 59.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.87 ' NZ ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.19 145.52 32.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -94.39 -53.25 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.1 ptt85 -58.02 -29.66 65.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.49 -45.76 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.87 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 39.9 mt -39.94 -48.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -50.94 -54.8 21.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.52 -49.59 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.75 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' PHE . 4.4 t60 -57.98 -47.18 83.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -52.24 -32.76 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -76.39 -43.39 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.0 t -57.07 -56.52 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 108.281 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -135.64 15.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 3.9 t-20 -102.19 46.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.4 ttm -72.87 154.42 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 148.27 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -49.94 -35.27 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 mm -75.71 -58.03 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -50.64 -24.09 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.22 -35.58 31.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.6 ttmm -74.1 -41.14 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 24' ' ' LEU . 41.6 t -54.24 -56.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.453 ' HE ' ' NE2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -54.08 -43.85 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 50' ' ' PHE . 7.8 t80 -47.52 -55.34 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 24' ' ' LEU . 67.4 t -66.54 -58.35 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 5.8 mmmt -44.07 -38.98 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' SER . 56.8 tp -68.83 -60.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -44.57 -58.86 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 0.6 OUTLIER -53.21 -26.82 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.3 OUTLIER -70.36 -48.98 53.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 46' ' ' LYS . 4.6 mm? -50.17 -39.64 44.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -67.0 145.87 54.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.1 p -118.01 -57.57 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -100.69 165.18 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -168.09 177.71 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt 62.02 120.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.72 120.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ARG . 1.1 pp -170.97 -177.01 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.535 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.0 mmt-85 -122.97 177.61 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.64 179.05 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.96 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -178.24 128.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -179.57 168.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -176.49 172.33 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p 178.66 174.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' CE ' ' A' ' 112' ' ' LYS . 0.3 OUTLIER -159.95 142.9 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 1.6 mp0 42.37 75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -21.9 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.08 -11.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.0 -27.4 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.238 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.42 -56.06 4.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -46.5 -28.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 97.61 49.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.56 5.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.8 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.67 -56.04 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.11 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -78.89 -38.93 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.77 -37.74 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -36.6 84.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.87 -48.25 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 47.5 t80 -50.64 -42.81 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ASN . 61.0 t -66.96 -51.72 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -42.33 77.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.99 -47.79 77.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.536 HH21 HG21 ' A' ' 35' ' ' ILE . 5.6 tpm_? -64.38 -56.93 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -43.47 -56.26 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.99 -50.01 10.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG21 HH21 ' A' ' 32' ' ' ARG . 84.1 mt -59.76 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -45.19 95.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.53 -34.17 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 50.2 6.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -108.29 -46.46 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CD2' ' HG2' ' A' ' 118' ' ' LYS . 1.5 m170 -83.37 114.15 51.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.86 3.57 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 2.5 m -78.13 165.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' LYS . 1.5 p -83.32 126.92 33.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -38.35 -60.18 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.71 -43.84 13.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.19 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -45.11 54.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -43.15 -55.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.004 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -49.81 -57.06 8.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.17 -48.35 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.55 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -56.22 -45.54 87.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -68.45 -39.96 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.599 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 9.3 tt0 -50.89 -54.55 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.46 -42.43 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 8.5 tp-100 -58.03 -59.51 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.741 HG21 ' HE3' ' A' ' 107' ' ' LYS . 39.7 mt -59.21 -33.81 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.99 -67.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.09 -158.35 16.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.4 t60 -44.56 167.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 89.0 m-20 -64.3 125.66 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.95 38.9 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.32 -45.81 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -52.49 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 150.29 30.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 156.37 78.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.99 55.49 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.96 -44.25 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.83 -25.86 21.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.06 145.62 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.22 73.89 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -49.23 -31.7 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -70.43 -35.73 73.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.2 t70 -101.66 23.98 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 2.5 m-85 -133.91 -43.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 51' ' ' ALA . 4.6 mm? -106.82 162.53 19.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.7 39.77 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -51.14 12.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -27.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CE1' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -100.52 -41.72 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' TYR . 5.5 mt -39.47 -35.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -72.61 -59.4 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -56.71 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 81.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 88' ' ' GLU . . . -52.58 -93.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 2.7 tt0 80.91 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.227 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -45.26 67.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -52.9 62.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.55 HG23 ' CA ' ' A' ' 52' ' ' GLY . 50.7 mt -41.84 -60.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.29 -61.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.41 -45.81 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -60.37 -48.29 82.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -53.73 -46.95 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -41.68 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.17 -51.43 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.7 -56.15 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . 77.31 -123.1 6.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -110.29 45.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.15 155.48 40.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 139.6 57.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.06 -38.45 82.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.2 mm -71.53 -60.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.65 -24.73 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -79.0 -35.69 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.741 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -76.19 -37.79 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.807 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.77 -57.67 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -58.7 -33.3 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 3.2 t80 -53.33 -39.88 64.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.64 -59.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.64 -55.82 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.004 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.3 tp -48.76 -52.27 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.63 -62.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 4.7 ptm85 -60.61 -13.82 16.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -45.02 30.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 46' ' ' LYS . 3.5 mm? -62.21 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -98.96 112.01 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -99.93 177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -88.8 118.31 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 111.048 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -157.91 152.65 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.93 172.99 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.04 -179.74 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 172.88 7.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.72 121.99 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -112.64 131.67 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.63 141.68 50.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -178.81 111.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 10' ' ' PHE . 49.8 p90 -95.67 109.95 22.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.98 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -72.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -178.97 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 72.12 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -59.45 -27.9 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -81.48 3.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -52.95 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -52.88 63.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -49.14 -59.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.18 113.67 16.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.81 13.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.27 -61.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -57.95 -21.34 43.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.44 -38.61 29.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.757 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -71.95 -36.5 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.21 75.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -43.72 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.45 -37.67 62.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.5 t -72.02 -50.62 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -48.03 74.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.45 -57.85 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -54.3 -45.14 72.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.3 -57.41 11.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.66 -29.26 4.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mt -73.48 -56.25 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -29.96 69.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -63.21 -42.2 99.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.51 35.08 20.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -52.69 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 119.2 73.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.651 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 74.56 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 117' ' ' LEU . 33.8 m -85.28 161.21 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -77.43 127.49 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -38.18 -54.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.78 -45.83 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -68.38 -59.11 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -41.7 -48.11 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -46.31 89.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.347 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.9 tt0 -38.9 -47.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 114' ' ' ALA . 64.1 m-85 -65.9 -58.11 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PHE . . . -39.97 -52.72 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.96 -50.43 38.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.04 -36.71 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.56 -46.87 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.933 ' SG ' HD22 ' A' ' 72' ' ' LEU . 3.2 m -67.89 -35.71 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.82 -54.85 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' A' ' 106' ' ' ALA . 18.8 mt -64.67 -30.66 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.7 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 54.8 m-85 -100.43 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.49 179.45 16.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.99 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.799 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -79.59 54.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.1 164.73 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.08 -41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.26 -35.45 73.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.19 -56.7 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.774 ' NE2' HD21 ' A' ' 72' ' ' LEU . 3.2 t60 -70.66 109.44 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 155.97 72.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.03 55.68 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.13 -44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -72.71 -12.9 61.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD22 ' SG ' ' A' ' 55' ' ' CYS . 19.3 mt -69.27 149.77 48.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -96.56 65.6 2.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.681 ' C ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.63 -23.21 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.665 ' N ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -25.23 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.38 28.02 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 55' ' ' CYS . 8.1 m-85 -125.17 -46.19 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 15.7 mt -107.83 163.72 16.35 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 119.82 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -32.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -24.78 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 34.7 m-85 -113.27 -46.87 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' TYR . 1.3 mt -40.15 -29.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.39 58.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -172.56 -39.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 1.6 ptpm? -143.86 -143.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . 121.87 136.9 5.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 90' ' ' LYS . 2.1 tt0 66.21 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -44.82 -25.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -88.65 -61.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' LYS . 14.6 mt -39.45 -46.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -37.17 -62.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -41.65 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.4 74.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -67.12 -48.51 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -40.61 19.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.56 -43.08 77.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 30.6 t -60.16 -53.83 53.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.46 -97.55 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.89 53.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.0 156.05 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.9 144.45 54.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -53.27 -35.7 60.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.32 -59.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -24.49 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.11 -37.44 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.377 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -40.56 78.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.9 t -57.06 -58.46 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -53.68 -44.24 69.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.6 t80 -48.85 -36.02 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 24' ' ' LEU . 48.8 t -86.27 -65.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -31.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 60.8 tp -69.02 -67.38 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . . . -53.72 -34.4 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -18.29 61.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -95.99 -11.56 26.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD23 ' CG1' ' A' ' 42' ' ' VAL . 7.2 mp -66.28 -74.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.19 132.7 39.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 119' ' ' THR . 7.1 t -118.83 66.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -85.26 105.93 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 15.2 t -173.08 161.58 4.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.1 OUTLIER 82.64 111.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tt -175.34 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 5' ' ' LEU . 5.4 tt -174.39 155.08 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -177.73 143.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.27 146.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -170.14 152.77 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -177.98 158.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 2.5 t80 -178.47 160.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -173.44 167.0 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.45 78.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' ASN . 17.2 p30 173.14 162.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 68.9 -63.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 t30 -55.85 -24.56 37.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.45 -8.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.69 -32.02 6.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -62.7 -20.69 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -76.33 -63.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.64 110.64 2.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.67 11.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.23 -62.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -54.98 -21.72 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -80.08 -39.73 29.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.893 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -70.07 -36.14 74.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -34.28 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -80.93 -45.46 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 74.5 t80 -55.7 -43.59 76.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 25' ' ' ASN . 59.6 t -65.38 -52.54 50.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -45.79 68.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.25 89.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -38.64 91.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.08 -53.8 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.07 -31.59 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.7 mt -69.73 -50.38 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -33.82 76.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.54 38.35 21.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.46 -51.87 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -91.78 118.55 68.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.91 2.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 47' ' ' ALA . 5.6 m -80.82 120.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -45.1 132.99 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.1 t80 -37.34 -60.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -42.37 -46.83 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 3.4 mmtt -71.59 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -40.17 -56.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -45.28 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 5.3 tt0 -41.11 -50.9 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.955 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.6 m-85 -57.06 -49.49 75.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.77 -61.42 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.56 -42.8 3.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.21 -38.93 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -46.53 89.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.3 m -58.65 -43.53 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.248 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -63.93 -61.27 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.507 HD11 ' CB ' ' A' ' 106' ' ' ALA . 43.4 mt -53.28 -31.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -69.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -109.93 -48.54 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 122.87 173.44 14.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 68.6 t60 -79.41 59.41 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -175.88 128.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -176.9 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -42.36 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -61.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.28 145.81 28.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 153.77 74.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 58.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.59 -44.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.95 -16.81 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 69' ' ' PRO . 1.1 mt -55.13 137.3 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 70.35 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD11 HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -45.78 -28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -52.02 -24.42 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 31.28 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . 14.0 m-85 -132.04 -56.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.826 HD11 ' HB1' ' A' ' 47' ' ' ALA . 4.4 mm? -103.61 164.39 15.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.0 154.58 42.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -45.58 14.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -24.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.1 m-85 -105.51 -38.15 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' TYR . 11.4 mt -37.86 -38.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -56.38 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -66.96 -35.54 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.99 116.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.63 -21.44 28.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' H ' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -40.45 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 76.2 -55.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -44.36 52.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 HD11 ' A' ' 74' ' ' LEU . 16.7 mt -49.6 -45.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 3.9 m-85 -45.84 -62.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -46.55 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.66 -28.86 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -70.85 -40.74 72.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -33.82 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.65 -41.69 30.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 24.2 t -55.93 -54.42 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.78 -131.27 23.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -110.33 50.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttm -73.05 152.15 41.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.22 138.8 58.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -54.64 -39.46 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.252 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.2 -53.34 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -50.23 -23.3 2.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.507 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -81.43 -40.09 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 4.0 ttmm -68.2 -40.6 82.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.36 -59.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -54.16 -46.64 72.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -41.97 -50.34 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 63.8 t -64.31 -63.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -43.4 -52.55 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 5.5 tp -50.37 -49.61 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.07 82.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -81.72 -4.69 56.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -95.94 -25.56 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.76 -44.11 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.08 160.17 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.4 p -132.67 59.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.1 -53.09 37.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 58.03 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' N ' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER 64.4 145.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.1 -62.39 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -152.21 169.96 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -120.36 -43.47 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 174.27 -68.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -148.34 179.9 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -169.35 133.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -175.93 149.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.86 150.99 31.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.9 p -110.17 120.81 43.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.72 138.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 42.23 54.08 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -70.55 -27.49 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -69.91 -8.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.94 -33.69 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -57.61 -47.51 81.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -57.79 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 110.19 2.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.06 13.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.84 -53.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -23.72 67.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.22 -35.92 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.83 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -71.6 -40.1 70.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.14 -41.56 88.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -68.24 -48.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -44.08 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.69 64.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -57.08 -42.5 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.19 -43.7 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -32.84 74.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.96 -37.55 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -20.85 36.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -36.36 82.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.54 24.32 73.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -32.99 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -103.08 106.81 52.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 79.43 2.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB2' ' A' ' 47' ' ' ALA . 10.2 m -82.54 139.58 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.51 169.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -68.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -28.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -72.5 -75.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -43.29 -37.92 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 -48.88 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -44.2 -55.02 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' TYR . 86.4 m-85 -47.09 -57.43 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -40.14 -54.87 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.1 -41.54 30.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' GLN . 20.5 m-85 -78.62 -57.04 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.606 ' NE2' ' CD2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -45.81 -41.73 11.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 72' ' ' LEU . 15.9 m -72.04 -35.07 69.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 2.4 tm0? -68.72 -56.01 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.861 HG21 ' HE3' ' A' ' 107' ' ' LYS . 36.6 mt -53.14 -31.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -59.05 -68.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -100.36 -56.55 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 141.16 171.71 12.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.1 Cg_endo -75.04 -0.96 10.62 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -79.77 54.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.428 HD22 ' CD2' ' A' ' 67' ' ' HIS . 46.7 p-10 -176.08 144.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.17 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -73.06 -33.14 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.428 ' CD2' HD22 ' A' ' 63' ' ' ASN . 1.0 OUTLIER -64.58 135.01 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 155.54 55.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 -6.39 17.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.8 -46.15 3.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.74 -39.73 74.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD13 ' SG ' ' A' ' 55' ' ' CYS . 84.2 mt -48.21 157.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 70.8 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -62.83 -25.19 68.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.72 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.4 39.43 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 1.8 m-85 -147.09 -44.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 51' ' ' ALA . 2.3 mm? -97.49 161.73 24.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.1 126.44 9.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -47.11 -25.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -64.17 -35.99 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' PRO . 7.9 m-85 -95.18 -38.71 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mt -47.69 -32.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -25.8 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -95.2 -54.96 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 2.0 tttt 83.86 132.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.4 75.02 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.43 -39.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -53.98 50.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' PHE . 4.2 mt -46.35 -64.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.0 -40.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -49.99 71.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 49' ' ' GLU . . . -53.31 -34.37 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -65.61 -41.16 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.661 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -31.21 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.17 -35.55 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.5 t -60.57 -57.7 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.57 -124.22 6.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 11.8 m120 -119.76 51.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.76 159.86 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.3 143.59 38.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -52.18 -36.14 50.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.57 -55.87 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -23.19 5.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -81.41 -35.2 31.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.861 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -74.14 -41.38 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.783 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -55.18 -51.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.33 -49.35 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -41.32 -45.07 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.545 HG13 ' HG ' ' A' ' 27' ' ' LEU . 69.0 t -68.11 -63.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HG3' ' NE ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -45.53 -30.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.683 ' HG ' HD23 ' A' ' 117' ' ' LEU . 55.1 tp -72.14 -60.17 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.11 -56.92 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' NE ' ' HG3' ' A' ' 112' ' ' LYS . 12.1 ptt180 -56.86 -25.42 56.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 6.17 49.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.683 HD23 ' HG ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -103.27 -35.0 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 136.08 38.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.65 -38.5 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 120' ' ' TYR . 0.3 OUTLIER -74.55 121.09 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 2' ' ' THR . 23.4 m 40.31 60.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.47 126.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -45.86 -64.74 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp 55.64 95.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 15.9 ptt180 -117.01 119.42 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.76 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 159.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.58 170.19 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -113.42 152.05 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -38.46 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.66 115.9 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.44 120.75 43.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.55 53.17 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -99.77 -25.99 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.15 -9.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -52.59 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 31.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.62 -61.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 114.38 51.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.39 9.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.25 -55.07 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -62.88 -23.16 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.57 -38.13 40.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.22 -38.73 78.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.72 83.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -49.03 28.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 38.4 t80 -50.16 -44.62 52.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 25' ' ' ASN . 86.6 t -64.76 -53.92 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.76 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.32 -55.05 38.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CD ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -58.76 -47.27 85.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -49.74 -47.82 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.4 -40.48 68.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.99 -45.83 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD13 ' CD ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -65.89 -39.18 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.37 -36.28 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.26 51.05 7.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -54.34 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.726 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.68 114.35 35.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 70.39 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.85 151.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 168.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.74 -48.34 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 4.7 m-20 -53.19 -47.51 68.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -51.87 -69.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -35.52 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -46.31 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 2.8 tt0 -49.13 -61.33 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -39.61 -62.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.601 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.79 -64.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.29 -51.48 4.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.02 -43.43 98.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -48.16 -58.72 4.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 t -51.39 -41.22 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -58.84 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 ' HE3' ' A' ' 107' ' ' LYS . 8.0 mt -55.68 -31.15 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.31 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.02 -145.16 17.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -2.24 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.71 54.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -159.02 -176.42 5.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' CE1' ' A' ' 92' ' ' PHE . 1.6 tm-20 75.46 -59.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -91.24 -13.01 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . 0.2 OUTLIER -90.8 159.74 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.62 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.09 157.84 47.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.01 -11.63 21.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.72 -15.23 80.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.04 -20.32 22.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.06 158.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 1.8 mt-10 -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -48.78 -23.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -60.21 -44.49 95.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -111.8 38.79 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -44.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -122.43 169.29 9.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.5 41.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -27.49 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -27.77 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.698 ' CD2' HD23 ' A' ' 78' ' ' LEU . 8.6 m-85 -105.04 -36.35 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 75' ' ' LYS . 15.7 mt -38.4 -55.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -50.77 -50.2 56.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.14 -56.18 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 69.02 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -63.01 -88.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 2.7 mt-10 67.24 -68.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 87' ' ' GLY . 5.3 ptm180 -53.96 -27.63 32.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.98 -47.37 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 51' ' ' ALA . 2.8 mt -46.09 -49.39 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -46.38 -55.57 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.9 ttp -44.26 -48.76 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.98 75.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.21 -49.71 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.655 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -49.64 -29.22 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.2 t -50.0 -58.14 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.233 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.33 -131.17 10.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -73.03 156.96 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 146.06 47.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.47 -34.23 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.5 mm -74.86 -56.62 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -25.19 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.19 -43.8 27.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.914 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -65.16 -41.48 94.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' ILE . 59.9 t -51.8 -59.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LEU . 3.2 mtp180 -54.11 -33.08 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.5 t80 -57.41 -54.91 41.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.85 -41.32 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -63.92 -31.77 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 117' ' ' LEU . 18.2 tp -72.47 -51.26 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.498 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -59.82 -51.37 70.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -66.94 -13.72 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 1.6 m -84.98 -35.24 22.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.3 mm? -72.44 -37.39 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -88.24 126.74 35.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 119' ' ' THR . 7.3 t -79.38 107.05 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.47 145.54 36.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -130.75 133.02 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 160.51 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.6 pt? -144.71 144.53 31.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' O ' ' C ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -93.49 -56.13 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 24.97 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 140.08 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.67 80.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.88 147.16 37.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.12 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.4 99.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -116.55 87.63 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.42 160.77 43.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 42.53 61.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -93.87 -34.71 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.88 -7.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.66 -34.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -50.75 -47.09 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -56.93 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.29 112.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.14 7.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.808 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.26 -58.12 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -23.31 66.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.24 -33.15 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.8 t-20 -74.49 -38.45 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -33.81 76.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -39.78 37.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -57.48 -35.34 70.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 25' ' ' ASN . 88.9 t -74.69 -47.96 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -40.37 81.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.15 81.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 2.9 tpm_? -66.47 -56.02 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.66 -51.83 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -45.53 53.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.33 -45.81 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -41.5 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -35.62 80.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.89 48.36 5.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 -39.87 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -105.75 104.67 49.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 77.67 3.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.755 ' CG2' ' HB2' ' A' ' 47' ' ' ALA . 3.2 m -77.06 154.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.5 134.74 54.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.23 -43.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.77 -65.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.42 -63.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.755 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -42.75 -44.12 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -46.49 80.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' LYS . 3.7 tt0 -46.2 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.876 ' CE1' HD23 ' A' ' 113' ' ' LEU . 91.2 m-85 -41.65 -53.48 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -50.96 -68.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -37.98 -47.28 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -43.87 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.27 -69.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HB2' HD21 ' A' ' 72' ' ' LEU . 31.8 t -51.62 -59.52 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -41.93 -36.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 106' ' ' ALA . 38.0 mt -80.77 -60.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.24 -51.42 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' NE2' ' A' ' 67' ' ' HIS . 10.9 m-85 -85.63 -71.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.52 163.94 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.96 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.21 53.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.642 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.39 153.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.87 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -30.05 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -47.26 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' NE2' ' CD2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.67 136.86 39.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.606 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -131.59 154.61 81.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.0 94.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.09 -53.76 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.96 -23.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 55' ' ' CYS . 10.7 mt -70.81 158.5 36.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.22 75.3 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -51.49 -22.93 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 2.2 pttt -72.62 -38.69 67.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.26 25.32 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -131.41 -44.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 82' ' ' TYR . 4.6 mm? -115.19 162.6 23.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.26 35.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.25 -52.14 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.16 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.58 -45.42 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mt -39.84 -35.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -68.88 -59.64 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -60.82 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.4 OUTLIER 76.04 66.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.04 88.48 0.88 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.84 -62.53 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -44.62 -32.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.65 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 74' ' ' LEU . 7.5 mt -45.93 -45.85 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -57.46 -43.92 84.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -48.55 48.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.8 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.57 -50.76 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.632 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -48.14 -33.1 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -75.36 -50.43 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.7 -54.96 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.68 -124.71 6.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 7.0 m120 -111.65 44.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.3 ttm -72.61 152.19 41.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.44 136.58 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -40.67 63.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.44 -61.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -24.62 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -78.8 -49.68 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -57.87 -41.79 83.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.243 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.1 t -54.1 -55.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -34.81 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 3.2 t80 -56.67 -61.87 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.721 HG21 HD13 ' A' ' 24' ' ' LEU . 92.1 t -55.83 -49.36 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' SER . 2.8 mmmm -55.17 -56.59 18.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.876 HD23 ' CE1' ' A' ' 50' ' ' PHE . 9.6 tp -53.79 -47.5 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.17 66.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 111' ' ' VAL . 2.5 mtm105 -71.69 -5.98 37.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' LYS . 42.5 t -96.11 -26.98 15.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 117' ' ' LEU . 2.1 mm? -72.7 -50.91 21.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.57 161.3 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.0 t -101.59 138.12 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 115.69 22.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.55 117.54 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.82 161.62 35.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 166.64 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 tp -83.88 79.04 9.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.04 138.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.99 164.05 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -137.3 -68.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -143.6 118.27 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 52.66 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -83.23 172.38 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -110.07 105.3 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.42 94.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 179.97 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -58.64 -24.04 60.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -70.25 -9.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.09 -31.92 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 p -56.05 -40.83 74.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.8 -59.3 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.95 115.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.24 -58.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -23.98 66.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.55 -35.63 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.22 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.54 87.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -56.57 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 68.3 t80 -42.27 -44.78 3.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.67 -58.03 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -42.31 66.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.7 -60.21 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -59.98 -45.1 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -47.37 -48.13 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.18 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' ARG . 55.5 mt -73.73 -36.19 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.39 -31.05 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.47 -31.27 71.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.43 44.39 11.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -48.69 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -90.27 115.37 63.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 81.38 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' HB2' ' A' ' 47' ' ' ALA . 11.9 m -77.84 131.06 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.91 130.49 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -41.86 -66.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.5 -42.22 32.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -62.8 -65.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.73 -41.08 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -48.0 83.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -41.15 -47.81 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.986 ' CE1' HD23 ' A' ' 113' ' ' LEU . 93.8 m-85 -57.71 -56.13 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.2 -54.82 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 91' ' ' ILE . . . -54.23 -48.16 64.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.04 -38.39 90.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 77' ' ' PHE . 1.8 tt0 -51.23 -53.94 30.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB2' HD21 ' A' ' 72' ' ' LEU . 50.7 t -54.17 -43.83 70.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tp60 -57.98 -64.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.1 mt -55.94 -29.85 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.66 -69.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -105.82 -49.67 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 126.98 172.09 13.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 84.0 t60 -79.54 54.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -175.84 141.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 174.87 -34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -27.74 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -116.82 -60.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 140.29 36.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -125.18 155.99 70.34 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.6 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -41.0 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 55' ' ' CYS . 9.1 mt -40.24 157.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.9 mt-10 -101.91 75.97 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 -24.2 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.967 ' HA ' HD13 ' A' ' 83' ' ' ILE . 20.0 pttt -69.79 -37.98 76.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' GLU . 63.6 t0 -111.79 37.76 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -133.65 -43.32 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.603 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.4 mp -115.15 170.34 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -74.98 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -38.9 -30.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.91 -51.89 67.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' PRO . 1.9 m-85 -79.94 -42.41 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.967 HD13 ' HA ' ' A' ' 75' ' ' LYS . 20.5 mt -38.54 -51.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.37 -49.37 5.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.23 -49.2 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 69.61 128.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.57 83.86 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -44.45 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -62.59 -30.82 71.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -54.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' A' ' 51' ' ' ALA . 77.1 mt -49.78 -41.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 69' ' ' PRO . 1.0 OUTLIER -52.81 -56.69 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.5 mtt -45.95 -43.41 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.61 -27.46 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -79.19 -31.36 43.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.65 -46.53 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -56.18 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.39 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 1.5 t-20 -125.89 48.06 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.99 154.5 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.77 144.2 45.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt-10 -50.34 -36.2 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -29.28 14.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.54 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.25 -42.54 83.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -54.08 -59.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -31.67 62.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.0 t80 -61.64 -49.29 77.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.676 HG21 HD13 ' A' ' 24' ' ' LEU . 42.6 t -63.76 -51.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mptt -52.68 -53.74 43.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 50' ' ' PHE . 4.3 tp -51.11 -45.4 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.71 83.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.96 -4.36 59.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -95.98 -34.81 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.6 mm? -68.31 -55.78 10.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -42.66 140.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 75.3 p -112.84 108.55 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -71.33 147.96 47.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -39.13 148.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.1 mp -47.23 119.17 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.93 65.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.43 120.16 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -80.28 78.98 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -174.45 34.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -96.44 -43.5 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 56.07 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 59.79 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 91.25 8.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.38 78.96 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -169.86 65.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -150.54 -69.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -91.64 -27.23 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.38 -7.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.01 -30.9 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -56.92 -43.86 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -59.49 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 113.58 13.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.03 12.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.34 -58.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -23.37 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.23 -36.29 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 t30 -72.19 -38.43 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -34.26 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -40.9 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -57.54 -34.21 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ASN . 67.7 t -76.41 -47.1 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -42.32 92.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.47 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -67.28 -57.46 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' ASN . 3.1 t70 -45.51 -57.83 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.67 -47.39 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 HG11 ' A' ' 42' ' ' VAL . 43.5 mt -63.59 -47.38 91.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -20.16 65.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -82.58 -28.54 30.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.95 41.69 71.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.63 -50.89 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 41' ' ' PRO . 11.5 t-80 -85.85 136.18 36.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.622 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 76.66 3.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 47' ' ' ALA . 1.3 m -73.21 140.16 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -74.89 130.89 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -37.72 -62.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -60.29 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -48.6 -60.81 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.45 -49.14 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -45.46 92.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -39.32 -45.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 110' ' ' TYR . 87.3 m-85 -65.41 -61.21 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.65 -52.45 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.53 -46.43 46.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.7 -47.63 38.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -38.39 -48.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.58 -54.87 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' CA ' ' A' ' 60' ' ' GLY . 0.7 OUTLIER -48.73 -32.02 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.603 HG21 ' HE3' ' A' ' 107' ' ' LYS . 20.7 mt -81.32 -60.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.47 6.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.67 -62.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' CA ' ' O ' ' A' ' 56' ' ' GLN . . . 138.71 -168.12 24.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.06 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 77.2 t60 -41.7 162.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 2.1 m120 -63.89 163.82 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.592 ' OE1' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -129.29 32.16 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.37 -43.89 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -55.68 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -63.24 115.47 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.88 69.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.1 Cg_endo -75.03 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.12 -51.55 6.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -39.16 -47.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -49.99 148.64 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 75.8 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.673 HD22 ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -53.69 -25.77 19.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.58 -36.67 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -103.86 27.05 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 5.0 m-85 -139.04 -44.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 78' ' ' LEU . 20.7 mt -106.57 157.89 34.02 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.2 38.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.51 -43.66 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -29.09 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.729 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -95.19 -49.27 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.8 mm -41.05 -43.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -49.11 77.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -67.09 -49.91 63.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 78.5 79.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.56 77.96 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.673 ' CD ' HD22 ' A' ' 74' ' ' LEU . 1.3 mp0 -90.17 -55.8 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -27.84 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -46.86 57.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 59.7 mt -51.85 -62.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -37.65 -60.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.36 -47.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -56.44 -51.66 67.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.592 ' CD2' ' OE1' ' A' ' 64' ' ' GLU . 7.8 t-160 -52.37 -47.35 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -33.18 23.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -75.18 -50.74 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 1.8 t -49.99 -56.19 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.18 -133.62 18.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.5 m120 -93.63 48.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.436 ' CE ' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -72.73 166.09 23.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.91 139.32 35.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.92 -39.04 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 107' ' ' LYS . 8.6 mm -71.12 -60.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.11 -26.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.58 -41.74 31.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.603 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -67.57 -38.19 83.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.581 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.0 t -54.59 -62.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 5.5 mtp180 -52.32 -30.27 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 t80 -60.07 -47.23 86.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 24' ' ' LEU . 51.6 t -75.0 -49.77 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -46.82 78.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 43.8 tp -56.4 -60.63 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.64 70.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -72.6 -4.59 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 t -95.98 -47.18 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.15 -56.55 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -111.69 117.47 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.25 153.32 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.5 p -102.31 -51.7 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp 42.24 82.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 5' ' ' LEU . 1.3 pt? -122.49 151.93 40.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 4' ' ' LEU . 6.1 mp 65.54 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.05 164.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 62.25 134.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.77 135.87 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t80 57.6 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 9' ' ' PHE . 10.6 m-85 -157.86 61.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.83 112.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.31 168.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -129.75 146.32 51.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.21 42.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -20.99 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.8 t -72.36 -6.25 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -92.52 14.85 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -53.27 -19.99 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.27 112.53 55.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -24.6 12.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.4 t -59.14 -57.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.23 -20.57 66.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.56 -34.96 40.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.5 -37.05 65.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mt -67.03 -34.22 77.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -40.24 60.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.79 -41.06 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.78 -49.45 64.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -43.24 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.25 -54.41 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.48 -46.53 86.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.49 -47.48 69.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -28.92 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.2 mm -74.22 -36.11 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -27.06 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.51 -38.96 93.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.48 33.6 52.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -95.5 -39.72 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.35 120.35 69.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 75.78 3.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.4 m -85.03 139.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.66 132.22 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -43.41 -57.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -44.67 -43.35 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.51 -56.8 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.58 -52.94 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -39.35 73.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' OE1' HD22 ' A' ' 113' ' ' LEU . 5.5 tt0 -46.04 -58.35 3.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 113' ' ' LEU . 88.0 m-85 -49.74 -55.65 13.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.81 -63.65 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.36 -52.0 11.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.5 m-85 -59.16 -52.61 64.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.98 -47.62 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.635 ' SG ' HD21 ' A' ' 72' ' ' LEU . 46.7 t -58.83 -41.82 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' GLY . 12.9 tp60 -63.04 -61.38 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 ' HE3' ' A' ' 107' ' ' LYS . 15.9 mt -55.84 -30.21 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.06 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -105.15 -50.34 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 136.02 -150.39 20.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HG3' ' ND2' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.97 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.441 1.758 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 70.0 t60 -78.89 57.36 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.4 -175.56 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 70.49 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -14.24 60.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 -53.86 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.04 155.78 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 57.98 4.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.5 -45.97 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.94 -26.27 62.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD21 ' SG ' ' A' ' 55' ' ' CYS . 1.9 mt -66.16 148.82 51.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.02 74.73 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.46 -29.2 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -67.81 -35.09 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.26 30.71 5.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.18 -43.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' CD2' ' A' ' 74' ' ' LEU . 9.6 mt -114.67 163.96 17.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 160.25 40.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -45.66 -54.68 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -97.3 -43.08 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.9 mt -39.61 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -58.31 -44.32 88.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -61.47 -63.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.5 mttt 69.03 74.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -58.57 -70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' OE2' HD13 ' A' ' 74' ' ' LEU . 0.9 OUTLIER 64.69 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -46.87 -30.45 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -50.42 11.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' PHE . 18.8 mt -41.12 -62.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.99 -58.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.2 ttt -41.38 -49.86 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.12 71.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -56.7 -44.09 81.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -53.36 -33.62 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -42.83 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.79 -59.31 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.04 -135.19 14.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 61' ' ' PRO . 16.0 t-20 -109.95 49.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.3 ttm -73.16 154.22 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 143.12 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.66 -36.58 57.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' LYS . 9.1 mm -72.55 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -25.84 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.429 ' O ' HD11 ' A' ' 57' ' ' ILE . . . -81.76 -30.7 32.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -77.1 -39.25 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.675 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -57.02 -60.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.48 -40.51 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.14 -47.1 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 24' ' ' LEU . 74.3 t -69.28 -58.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -51.28 -27.23 8.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD22 ' OE1' ' A' ' 49' ' ' GLU . 35.2 tp -72.71 -58.69 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.28 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -60.47 -23.5 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.24 -30.56 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.9 mm? -69.99 -58.71 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -42.9 163.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.6 p -109.24 -52.47 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.32 164.46 13.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 m -141.4 148.5 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 139.11 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.03 133.94 52.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -176.77 74.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -163.25 151.18 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.11 133.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.8 109.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.36 108.66 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.16 96.69 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 28.6 p90 -84.48 127.68 34.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.43 -177.0 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -152.49 129.17 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -175.99 47.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -20.11 61.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -58.75 -16.97 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -113.25 -25.88 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.41 1.44 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.86 100.44 53.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.93 10.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.84 -47.56 92.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.49 -22.0 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.31 -35.36 35.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.7 t-20 -72.47 -36.71 68.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -36.23 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.992 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.55 -42.96 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.98 -52.92 59.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -56.87 -51.75 64.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -54.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.54 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH2' ' CD1' ' A' ' 36' ' ' LEU . 4.8 ttp180 -60.27 -38.87 84.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.81 -53.6 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.54 -29.63 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.37 -55.5 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' ' NH2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -61.89 -31.18 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.17 -37.02 85.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.97 9.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.49 -51.13 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' NE2' ' HG3' ' A' ' 118' ' ' LYS . 2.0 m170 -91.6 112.68 55.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.589 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 79.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ALA . 30.8 m -77.83 150.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 130.34 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -64.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.85 -42.95 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.9 mmtt -66.99 -59.23 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.79 -53.04 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -44.46 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -44.38 -55.23 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 93.3 m-85 -49.2 -51.86 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -44.29 -57.71 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.15 -42.77 17.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -75.48 -32.53 60.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 32' ' ' ARG . 1.9 tt0 -62.05 -55.12 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.766 ' SG ' HD22 ' A' ' 72' ' ' LEU . 1.7 m -58.73 -35.69 73.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 108.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' GLY . 4.1 tp-100 -63.96 -61.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.885 HG21 ' HE3' ' A' ' 107' ' ' LYS . 9.5 mt -60.09 -32.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.35 -58.57 6.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.72 -51.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 129.04 -173.22 19.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 Cg_endo -74.97 0.87 8.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -79.16 60.66 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.38 135.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 173.05 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -26.03 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -53.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.63 116.81 15.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.67 155.52 54.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.577 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 18.0 Cg_endo -75.02 75.79 3.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -173.44 -47.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -66.86 -17.71 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD22 ' SG ' ' A' ' 55' ' ' CYS . 7.5 mt -59.01 154.11 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.29 77.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -52.0 -22.06 3.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.66 -26.49 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.72 30.79 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 m-85 -131.79 -43.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 77' ' ' PHE . 5.6 mp -121.14 167.96 12.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.03 149.85 37.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.556 1.819 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -43.26 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.06 -24.37 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 6.3 m-85 -105.84 -36.76 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 75' ' ' LYS . 14.0 mt -38.47 -58.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 -46.74 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 3.9 mm100 -91.25 60.8 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -47.29 127.62 10.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -85.35 -77.59 1.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 65.68 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.29 -29.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -80.23 -51.34 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.7 mt -40.29 -50.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.55 -60.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -43.74 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 91' ' ' ILE . . . -58.81 -38.67 79.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 92' ' ' PHE . 8.1 t-160 -62.75 -33.48 75.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -62.04 -45.46 93.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.88 -48.63 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -54.81 36.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.4 48.03 66.4 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 64.73 48.28 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.67 154.19 40.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.76 134.68 57.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.29 -48.33 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.32 -55.08 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -26.02 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.14 -42.54 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.885 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -64.6 -40.48 95.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -56.28 -65.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 3.2 mtp180 -48.55 -42.04 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -47.66 -55.58 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.992 HG13 HD12 ' A' ' 27' ' ' LEU . 55.8 t -59.0 -59.42 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -49.41 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.721 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.8 tp -57.34 -51.09 70.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.37 -31.12 70.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' VAL . 5.0 mtm180 -86.76 -5.74 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -95.29 -24.3 16.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mm? -74.98 -61.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.402 ' HG3' ' NE2' ' A' ' 40' ' ' HIS . 15.4 tttt -42.38 116.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.8 t -103.44 132.01 50.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -107.12 168.71 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m 56.89 84.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.69 174.55 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.63 -54.75 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tp 44.49 65.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.37 89.07 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.69 -49.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.46 177.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.4 -51.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -45.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -79.04 102.22 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -161.49 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 56.37 32.86 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -35.13 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.62 -7.45 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.77 -31.07 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -58.13 -34.52 70.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -62.11 -59.5 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.85 114.58 21.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.13 14.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -58.94 -58.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -61.88 -24.13 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.1 -33.17 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.5 -36.79 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -35.51 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -76.24 -47.72 22.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.756 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 44.4 t80 -52.29 -45.38 65.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ASN . 89.8 t -63.99 -52.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -45.86 76.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.56 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.711 HH21 HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.89 -39.93 96.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.93 -58.23 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.68 -44.55 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.711 HG21 HH21 ' A' ' 32' ' ' ARG . 85.8 mt -63.1 -52.23 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -37.02 70.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -30.04 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.66 56.88 5.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -51.08 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -96.18 128.97 35.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.571 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.76 2.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 117' ' ' LEU . 32.1 m -77.45 135.47 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 134.31 49.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 t80 -43.33 -62.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -47.32 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' GLU . 2.5 mmtt -57.5 -67.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.86 -42.12 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -48.85 80.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.4 -54.4 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -48.88 -62.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.33 -49.81 6.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.23 -39.11 86.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.559 ' OE1' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 tt0 -48.86 -52.08 26.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 72' ' ' LEU . 47.2 t -57.59 -49.5 76.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.7 tp60 -56.0 -56.49 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.662 HG21 ' HE2' ' A' ' 107' ' ' LYS . 61.5 mt -60.82 -30.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' GLN . 3.4 mt-30 -62.6 -60.16 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -105.32 -60.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 146.71 -159.2 27.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -79.84 54.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.56 177.82 5.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 21.8 mt-10 72.28 -58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.63 -20.3 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -110.58 -65.38 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -116.91 151.45 36.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 64' ' ' GLU . 6.9 mmtm -105.62 155.36 38.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.664 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -75.02 64.27 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.31 -44.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.88 -20.92 55.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 77' ' ' PHE . 7.0 mt -51.78 151.41 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.83 74.94 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -48.32 -25.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.68 -39.38 88.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' GLU . 37.5 t70 -111.75 38.69 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -137.54 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 82' ' ' TYR . 12.1 mt -119.96 164.7 20.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.97 42.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -42.88 -54.21 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -38.62 -31.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.79 ' CE1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -96.22 -40.77 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 75' ' ' LYS . 8.0 mt -43.89 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -37.03 67.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -73.07 -53.63 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 70.05 63.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -40.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 9.2 mt-10 68.36 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' GLY . 28.2 ttt85 -56.76 -45.34 82.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -51.67 58.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.7 mt -42.99 -54.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' ' CG ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -37.99 -56.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -51.23 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.21 -36.44 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -65.91 -41.6 91.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.77 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -77.4 -43.06 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.5 t -54.78 -57.1 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.44 -124.38 8.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -117.65 50.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 tpp -72.41 154.2 41.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.63 133.24 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -40.97 -48.53 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.472 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 5.1 mm -60.86 -61.5 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.73 -24.02 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -80.77 -45.51 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.662 ' HE2' HG21 ' A' ' 57' ' ' ILE . 2.7 ttmm -61.34 -40.25 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -56.3 -57.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.0 mtp180 -55.45 -39.15 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.756 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 4.1 t80 -51.61 -40.27 59.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.646 HG21 HD13 ' A' ' 24' ' ' LEU . 53.5 t -79.94 -62.31 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -30.97 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 26.3 tp -64.02 -70.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.42 61.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -17.51 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -96.21 -17.11 21.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 42' ' ' VAL . 6.9 mp -62.3 -50.44 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.35 99.15 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.8 t -89.96 173.3 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 -50.69 4.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.6 p -148.72 144.93 27.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.82 157.88 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.95 178.09 7.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.72 165.56 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -158.54 158.73 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -163.64 141.87 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.09 173.03 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.91 170.29 16.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -120.7 165.62 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -105.76 167.61 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.12 162.33 21.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -60.14 100.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -138.42 41.12 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -92.71 -28.32 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.05 -6.79 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.83 -32.44 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 p -54.1 -45.62 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -54.69 -57.34 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 114.16 29.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.02 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.41 -58.42 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -60.96 -22.81 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.9 -34.54 33.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -75.41 -31.27 60.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 26' ' ' LEU . 2.2 mt -70.29 -35.52 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -38.2 54.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.54 -38.84 78.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.6 t -71.91 -53.43 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -44.7 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.27 -52.97 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -63.53 -56.8 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 23.8 t0 -41.86 -61.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.62 -49.54 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' NH2' ' A' ' 32' ' ' ARG . 84.5 mt -64.06 -48.03 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -33.47 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.1 t30 -67.11 -39.8 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.54 5.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 -44.95 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -94.44 112.75 58.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.592 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.73 3.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -78.52 160.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' CB ' ' HE3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -73.93 166.4 23.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.29 -45.71 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 m-20 -51.65 -62.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -47.62 -56.71 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.11 -52.36 26.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -30.79 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -65.6 -55.38 17.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 23.2 m-85 -49.64 -56.8 8.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.93 -48.09 8.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 91' ' ' ILE . . . -54.13 -60.35 8.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.17 -47.17 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 2.3 tt0 -44.49 -51.37 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' PHE . 42.0 t -60.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -29.25 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 106' ' ' ALA . 80.2 mt -85.86 -57.19 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -55.93 24.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' CYS . 12.6 m-85 -75.85 -53.17 8.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -172.4 16.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 80.5 t60 -45.51 167.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.556 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 m-20 -65.67 161.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -119.68 47.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.63 -54.07 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -55.1 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -63.24 123.75 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.647 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 154.95 36.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.99 -9.21 20.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.44 -44.11 51.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 3.0 t80 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -55.68 140.37 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -79.08 71.76 5.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -43.97 -54.66 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -46.42 -33.97 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.5 t0 -111.19 38.11 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -142.49 -44.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.15 164.89 14.94 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.99 128.85 11.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.0 OUTLIER -38.16 -33.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -58.85 -56.04 27.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 9.7 m-85 -76.89 -32.13 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.98 -41.89 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -38.07 20.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -68.37 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' CE ' HD13 ' A' ' 74' ' ' LEU . 2.2 mttt 75.49 98.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.72 70.23 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -67.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -39.45 -49.91 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -60.24 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 52' ' ' GLY . 88.4 mt -42.32 -65.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -49.68 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -44.12 -56.61 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.75 -49.47 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.21 -44.6 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -33.48 65.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.76 -46.12 32.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 t -53.96 -56.1 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.59 -139.35 23.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -92.76 40.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ttp -72.62 154.46 40.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.01 141.92 52.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.0 -58.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.47 -26.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -76.37 -47.26 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 11.5 ttmm -63.19 -39.24 94.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.29 -68.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.542 ' N ' HG12 ' A' ' 108' ' ' VAL . 1.3 mtp180 -51.02 -29.01 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -59.23 -38.65 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 24' ' ' LEU . 54.7 t -79.34 -54.7 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.87 67.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 48.2 tp -61.69 -68.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 117' ' ' LEU . . . -52.88 -32.72 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.35 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.15 -17.95 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 114' ' ' ALA . 8.0 mp -59.85 -65.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -97.92 102.62 14.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t -84.17 177.27 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 112.26 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -128.87 71.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mt 54.82 79.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.75 174.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' C ' ' CG ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -121.72 -58.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' CG ' ' C ' ' A' ' 5' ' ' LEU . 9.8 ptm180 37.9 74.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.97 126.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.97 133.34 56.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' SER . 1.3 t80 -108.97 166.0 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -52.71 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' PHE . 89.6 p -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -135.95 -66.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 177.75 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -26.48 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.28 -7.77 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 4.0 p-10 -114.01 -35.02 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.5 p -53.75 -42.26 67.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -61.96 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 118.63 73.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.01 -25.29 11.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.33 -51.77 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -22.74 64.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 HG21 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -80.36 -33.21 37.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -74.37 -38.73 63.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -35.55 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.3 -49.95 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE2' ' CG ' ' A' ' 110' ' ' TYR . 50.1 t80 -53.59 -46.42 70.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 73.2 t -62.23 -53.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -45.54 75.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -59.22 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HD13 ' A' ' 36' ' ' LEU . 4.7 ttp180 -56.08 -44.26 78.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.3 -47.54 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.8 -36.85 39.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -68.4 -50.41 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' NH2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -62.85 -32.15 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.82 -38.27 90.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.66 36.92 11.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.12 -47.45 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.63 109.76 54.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 84.18 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB3' ' A' ' 117' ' ' LEU . 27.6 m -79.91 178.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 172.95 13.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -59.44 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.77 -61.1 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -45.52 -64.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.55 -48.22 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -45.11 86.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.4 tt0 -42.67 -53.4 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -52.49 -58.37 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.99 -63.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.28 -53.24 4.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' CYS . 5.3 m-85 -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' CD ' ' CZ ' ' A' ' 77' ' ' PHE . 4.7 tt0 -45.69 -52.07 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 36.9 t -57.93 -45.74 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.357 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' GLY . 3.6 tm0? -56.95 -58.52 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 106' ' ' ALA . 48.3 mt -60.99 -34.2 58.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -63.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -104.92 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.67 159.19 8.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -79.78 54.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -176.19 156.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -176.78 -55.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -36.03 83.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -86.02 -56.11 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -61.62 145.49 51.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.94 154.11 77.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.4 Cg_endo -74.96 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.4 -58.08 2.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -38.8 -46.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 55' ' ' CYS . 10.8 mt -43.65 156.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -95.24 70.98 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -47.42 -42.73 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -55.76 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.4 t70 -112.75 38.94 2.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CZ ' ' CD ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -140.66 -52.04 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.5 mm? -103.85 163.55 17.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.98 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -48.88 -26.45 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -31.69 72.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 79' ' ' PRO . 4.5 m-85 -103.69 -29.72 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.1 mm -51.53 -40.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -47.05 -27.62 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.29 -53.84 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.22 142.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.68 63.21 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.59 -58.5 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -48.53 14.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -57.78 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' PHE . 46.8 mt -41.05 -67.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -36.96 -53.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.62 -45.55 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -41.19 85.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.5 t-80 -59.17 -40.66 86.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -60.22 -32.47 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.95 -43.05 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 49.3 t -55.5 -56.62 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 -151.47 42.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -88.66 45.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.3 ttm -72.54 153.07 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 133.05 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -48.54 13.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.64 -54.52 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.68 -23.68 18.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.447 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -82.35 -45.02 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 4.0 ttmm -60.1 -40.64 90.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.4 t -58.09 -58.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' LEU . 2.5 mmp_? -54.4 -43.69 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CG ' ' CE2' ' A' ' 28' ' ' TYR . 5.7 t80 -47.77 -50.88 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 24' ' ' LEU . 39.6 t -62.99 -58.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -26.44 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 14.2 tp -76.93 -53.38 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.524 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -53.4 -49.07 68.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -66.42 -23.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -50.01 57.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.751 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.4 mm? -52.35 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 143.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.1 p -110.3 126.51 54.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -104.74 149.89 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 3' ' ' LEU . 5.8 t -168.11 -157.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' N ' HG23 ' A' ' 2' ' ' THR . 25.4 mt 64.06 133.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -156.77 148.67 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.43 145.3 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -160.93 165.44 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.48 162.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.38 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -99.94 164.56 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.64 157.82 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 179.94 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 169.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB3' HG21 ' A' ' 16' ' ' VAL . 3.1 m-20 -123.88 155.72 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.1 -64.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 1.1 m120 -49.11 -32.31 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 13' ' ' ASP . 15.6 m -46.73 -25.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 96.6 p -94.17 36.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.44 -50.89 41.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.78 110.31 63.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.13 9.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.04 -56.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.59 -22.6 65.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.08 -36.0 36.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -39.09 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -34.08 77.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -74.84 -41.67 59.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -54.04 -51.17 64.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.99 -48.56 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -47.63 84.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -56.74 -53.87 52.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HE ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -58.99 -37.63 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.37 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -45.53 -37.75 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE2' ' A' ' 50' ' ' PHE . 12.8 mt -67.3 -52.89 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -30.99 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -67.52 -31.54 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.78 31.88 79.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -42.79 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.1 t60 -91.2 128.6 46.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 47' ' ' ALA . 16.6 m -84.81 135.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.88 131.82 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -37.73 -68.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.5 -51.64 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -53.48 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.76 -34.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -51.08 66.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.236 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.1 tt0 -41.42 -49.73 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 35' ' ' ILE . 86.9 m-85 -53.15 -60.88 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.26 -46.08 8.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.26 -43.73 69.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -46.84 -56.01 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.6 t -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.3 tt0 -57.29 -58.98 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.731 HG21 ' HE3' ' A' ' 107' ' ' LYS . 40.5 mt -60.67 -29.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -65.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -104.96 -54.27 2.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 142.17 167.73 11.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.23 7.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 78.4 t60 -79.56 54.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -176.05 159.04 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.98 -43.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -35.9 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -50.55 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.17 132.51 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -125.21 155.01 71.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -75.02 -10.07 21.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 -61.12 2.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.17 -36.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 69' ' ' PRO . 31.5 mt -49.35 154.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.8 tt0 -96.39 75.43 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' CD1' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -51.08 -22.93 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.44 -36.54 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' GLU . 8.0 t70 -109.11 31.8 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.597 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -137.86 -44.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 82' ' ' TYR . 17.5 mt -114.13 162.09 24.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.94 36.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -48.95 -33.36 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.43 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.768 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -105.3 -40.29 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 75' ' ' LYS . 4.7 mt -40.18 -37.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.42 51.52 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.7 OUTLIER 179.82 -64.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 66.02 147.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.9 63.23 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.86 -55.8 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -60.96 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.1 mt -41.75 -60.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -40.28 -47.7 2.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 tpt -50.69 -50.41 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.99 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -60.47 -31.24 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -72.66 -54.44 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 0.1 OUTLIER -53.52 -49.92 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.06 -114.1 4.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.66 45.02 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.423 ' HE2' ' HA ' ' A' ' 98' ' ' CYS . 1.3 tpp -73.19 153.98 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.91 146.9 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -50.62 -35.5 30.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -72.59 -60.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.05 -24.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' HG12 ' A' ' 57' ' ' ILE . . . -78.82 -36.45 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -75.56 -37.62 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.654 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.2 t -53.8 -63.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -56.04 -30.92 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.37 -48.4 79.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 27' ' ' LEU . 50.5 t -65.89 -50.85 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -56.65 -31.76 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 117' ' ' LEU . 21.9 tp -71.05 -55.01 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -56.71 -53.95 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.43 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 5.2 t -91.16 -22.43 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 113' ' ' LEU . 3.1 mm? -80.95 -46.73 14.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -61.99 -74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -107.76 138.13 44.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -102.77 24.21 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -120.98 159.86 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.24 177.63 7.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.53 161.86 22.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.36 144.73 27.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 164.43 3.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -116.53 164.6 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -133.64 -172.42 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -163.42 164.02 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.85 161.81 40.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -104.97 -178.02 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -175.06 161.56 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.25 101.8 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.51 57.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.47 -32.96 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.48 -7.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.02 -34.24 5.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -53.5 -38.23 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.75 -47.22 87.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -77.42 114.44 40.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.45 11.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.62 -62.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -22.81 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.27 -38.38 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 t30 -70.29 -35.92 74.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -38.46 91.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -74.02 -40.46 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 59.6 t80 -58.22 -33.3 69.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 25' ' ' ASN . 82.8 t -77.89 -52.23 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -42.55 68.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.0 87.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -62.62 -50.39 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 4.9 t70 -51.66 -57.25 9.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.72 -45.14 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.85 -54.01 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -22.61 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ASP . 3.3 t30 -77.45 -33.89 54.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.82 55.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -43.7 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 118' ' ' LYS . 1.6 t-80 -97.91 111.82 60.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 47' ' ' ALA . 34.2 m -84.38 135.72 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.41 158.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.72 -59.9 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -53.56 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -52.87 -67.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.51 -46.63 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -39.9 -47.9 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 85.3 m-85 -62.6 -50.4 71.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.94 -53.32 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.6 14.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 32' ' ' ARG . 2.9 tt0 -46.94 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.1 t -46.8 -51.18 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.2 tm0? -50.99 -58.9 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.18 -35.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -68.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -93.07 -62.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.117 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 149.53 157.9 7.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.14 8.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -79.21 54.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.9 t-20 -175.95 157.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 166.21 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.59 -25.61 54.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.86 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -88.59 132.27 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 154.98 46.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -8.4 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.96 11.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -48.99 -55.4 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 73' ' ' GLU . 1.3 tm? -41.14 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.849 ' N ' HD13 ' A' ' 72' ' ' LEU . 1.4 tt0 -108.86 74.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -51.46 -25.52 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -73.69 -32.28 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' GLU . 4.8 t70 -102.11 23.23 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 72' ' ' LEU . 6.4 m-85 -134.94 -43.26 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 51' ' ' ALA . 11.0 mp -103.31 161.7 22.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.01 144.82 30.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -41.42 15.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -24.85 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 79' ' ' PRO . 5.9 m-85 -105.49 -37.57 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 11.9 mt -38.32 -46.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -45.2 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -44.81 -48.49 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.745 ' HG2' HD11 ' A' ' 74' ' ' LEU . 7.0 mttt 72.1 114.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.7 -89.61 2.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.763 ' CG ' HD22 ' A' ' 74' ' ' LEU . 2.2 mt-10 68.56 -74.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -48.78 -31.97 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -52.92 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 92' ' ' PHE . 1.2 mt -40.48 -61.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -36.89 -58.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -51.75 4.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.25 59.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 3.1 t60 -60.27 -34.83 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -69.91 -25.56 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.87 -44.43 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -57.8 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 108.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.1 -107.38 3.16 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.07 44.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ttp -71.88 159.58 34.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.54 144.35 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -36.67 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.13 -58.44 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -56.23 -30.43 62.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.5 -40.26 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.05 -38.45 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.1 t -53.11 -63.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.458 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -54.61 -29.27 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' OH ' ' CD ' ' A' ' 32' ' ' ARG . 1.5 t80 -62.29 -31.04 71.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 24' ' ' LEU . 54.2 t -88.18 -42.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 8.0 mptt -66.74 -30.89 71.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.1 tp -69.92 -56.79 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.63 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -62.9 -15.15 54.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 3.2 m -90.13 -20.23 23.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 46' ' ' LYS . 3.1 mm? -82.49 -61.73 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.05 136.34 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.2 p -108.87 145.4 35.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -76.51 115.64 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -166.95 118.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -171.17 120.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -178.51 101.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.71 118.35 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -134.21 146.1 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.03 164.6 38.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 2.3 mttp -116.99 162.19 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.8 m-85 -179.31 137.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -145.17 140.24 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.34 129.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -168.88 159.05 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.16 44.39 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -120.45 47.6 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -21.61 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.17 -8.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.19 -38.42 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -52.23 -34.69 46.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -60.42 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 113.95 20.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.08 12.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.61 -61.79 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -57.97 -23.69 54.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.13 -36.72 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -70.91 -34.87 71.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.64 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -45.52 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 110' ' ' TYR . 72.9 t80 -56.96 -30.0 63.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' ASN . 41.6 t -80.24 -52.22 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -41.36 73.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 114' ' ' ALA . . . -58.23 -62.62 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' NE ' HD13 ' A' ' 36' ' ' LEU . 4.3 ttp180 -53.13 -40.41 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -60.21 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.04 -41.16 16.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' CE2' ' A' ' 50' ' ' PHE . 56.2 mt -65.16 -54.48 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -57.19 -37.02 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.62 -26.53 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.93 37.24 65.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -43.05 14.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 29.2 t-80 -108.36 129.61 23.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 78.06 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' ALA . 27.3 m -77.59 126.96 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.53 163.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.88 -56.26 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.56 -53.28 18.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -54.94 -64.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -45.08 -46.72 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -40.43 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LYS . 1.9 tt0 -51.22 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE2' HD11 ' A' ' 35' ' ' ILE . 91.2 m-85 -39.14 -60.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -43.73 -61.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.74 -51.76 7.99 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.94 -50.84 70.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 9.2 tt0 -39.35 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' HG ' ' HD1' ' A' ' 59' ' ' PHE . 42.7 t -48.01 -57.33 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 108.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -40.36 -37.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.846 HG21 ' HE3' ' A' ' 107' ' ' LYS . 72.6 mt -84.67 -53.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.67 -61.13 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.474 ' HD1' ' HG ' ' A' ' 55' ' ' CYS . 7.8 m-85 -75.64 -55.23 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.26 -169.36 18.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' ASN . 18.3 Cg_endo -74.98 1.09 8.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 63' ' ' ASN . 78.4 t60 -45.75 166.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 m-20 -70.06 159.6 33.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.12 42.97 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -100.41 -52.62 3.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -52.96 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 68' ' ' LYS . 1.2 t60 -66.09 126.93 30.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -99.16 154.13 37.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.02 -4.32 15.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 -36.02 37.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.083 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.96 -33.81 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.71 144.97 30.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -83.58 70.57 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.002 HD21 HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -44.45 -52.36 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -47.25 -34.26 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.2 t70 -112.38 39.62 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.69 -44.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.002 HD12 HD21 ' A' ' 74' ' ' LEU . 81.4 mt -109.84 161.12 25.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.96 130.04 12.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' PRO . 4.5 tttt -38.46 -31.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.34 -57.57 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLN . 19.0 m-85 -76.3 -32.54 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.2 mm -44.72 -42.2 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -49.93 -41.17 45.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -77.88 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER 82.84 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.96 63.77 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 5.4 mt-10 -57.55 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -38.28 -46.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -55.8 30.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.74 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.9 mt -41.73 -66.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.17 -58.49 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpp -37.8 -45.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 92' ' ' PHE . 2.0 t60 -52.32 -50.23 62.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -52.19 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -53.55 -56.66 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.18 -56.72 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.78 -134.38 17.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 3.7 m120 -92.63 42.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ttm -73.25 155.21 39.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.8 140.66 57.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.37 -37.81 88.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' LYS . 2.8 mm -70.71 -57.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -46.8 -25.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.15 30.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.846 ' HE3' HG21 ' A' ' 57' ' ' ILE . 10.6 ttmt -67.24 -42.12 84.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 109' ' ' ARG . 2.3 t -53.08 -64.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.7 mtp180 -50.41 -36.93 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -54.48 -44.06 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.087 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 24' ' ' LEU . 32.7 t -69.94 -35.53 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -24.4 60.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' SER . 40.3 tp -76.43 -59.81 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.661 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -45.93 -51.39 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -63.58 -27.29 69.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -73.35 -29.0 62.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.61 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 143.61 38.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 119' ' ' THR . 6.2 t -118.68 60.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -54.71 116.11 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -171.4 159.9 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tp -43.12 124.11 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.17 137.78 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER 174.87 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -175.04 148.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -111.71 -57.81 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER 179.77 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -172.69 175.16 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -83.77 139.61 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -46.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m 55.16 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -156.76 -53.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CA ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 62.49 42.38 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.75 -36.2 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -69.38 -7.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD1' ' CA ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -113.56 -34.43 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.5 p -52.69 -37.68 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -55.95 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.57 112.35 7.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -24.17 12.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -23.7 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -78.59 -40.2 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.56 -38.18 80.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -37.23 86.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -41.97 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CD1' ' CD1' ' A' ' 110' ' ' TYR . 36.8 t80 -58.11 -44.7 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' ASN . 93.7 t -64.91 -49.63 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.9 -46.07 88.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.27 93.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.584 ' NH1' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -68.07 -45.56 73.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.81 -41.72 82.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.26 -47.04 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.95 -42.84 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' NH1' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -62.51 -39.02 92.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -62.91 -29.0 70.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.39 29.82 61.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -47.1 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -85.21 115.84 62.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 47' ' ' ALA . 17.1 m -82.06 136.73 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.58 148.4 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -46.53 -60.76 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -56.47 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -50.57 -63.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -41.07 -54.04 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -43.61 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 4.7 tt0 -41.14 -51.57 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.949 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 87.9 m-85 -57.87 -56.21 24.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.81 -51.85 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.43 85.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.5 -35.42 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' NE2' ' CE1' ' A' ' 77' ' ' PHE . 10.9 tt0 -53.94 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -46.36 -45.58 17.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' OE1' ' CE1' ' A' ' 95' ' ' HIS . 27.6 tp60 -52.17 -54.26 32.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 107' ' ' LYS . 22.8 mt -66.8 -41.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.44 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.82 -73.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.22 -157.18 23.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' PRO . 77.5 t60 -38.95 156.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -63.81 123.29 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 64' ' ' GLU . 4.4 mm-40 -96.46 43.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -105.95 -42.43 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.59 -52.78 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -72.33 126.5 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -98.71 153.96 37.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HG3' ' CD1' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -75.05 -8.46 20.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.57 62.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.34 -16.93 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.89 138.57 57.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.81 72.51 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -19.34 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.705 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -69.85 -39.73 76.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.17 38.18 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE1' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -135.8 -43.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 83' ' ' ILE . 2.8 mm? -118.76 163.07 27.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.3 Cg_endo -74.98 136.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -39.55 -30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -57.92 -50.87 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLN . 4.7 m-85 -82.03 -43.05 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' A' ' 75' ' ' LYS . 27.4 mt -36.95 -53.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -41.39 -51.47 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' TYR . 2.4 mp0 -62.95 -55.2 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.03 104.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.57 -78.58 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 67.57 -78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.92 -45.1 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.28 -53.52 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.44 HD13 ' HB1' ' A' ' 51' ' ' ALA . 56.1 mt -40.83 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -37.93 -52.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tpt -43.03 -48.49 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.51 -48.56 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 4.3 t60 -54.14 -51.3 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.577 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -39.65 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -41.93 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.31 -60.59 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.73 -131.9 10.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -108.64 44.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 ttm -73.06 152.03 41.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.47 141.62 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.27 -36.76 84.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.9 mm -71.52 -58.49 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.17 -27.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.02 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 57' ' ' ILE . 1.2 ttmp? -63.63 -39.16 93.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 t -52.15 -57.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -28.92 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 1.9 t80 -60.52 -43.37 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 24' ' ' LEU . 32.8 t -73.23 -43.51 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -54.04 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.949 HD23 ' CZ ' ' A' ' 50' ' ' PHE . 8.9 tp -49.47 -54.52 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.99 84.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.43 -6.07 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -43.61 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 117' ' ' LEU . 3.3 mm? -57.45 -54.22 49.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -49.16 121.84 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 73.8 p -85.52 137.66 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -94.54 171.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m 61.72 126.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -172.01 73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.67 102.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.17 110.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 146.98 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.5 -56.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp 67.12 130.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -171.65 155.52 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -146.01 124.46 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -137.75 110.3 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 109.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.46 123.13 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 68.49 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -80.42 -26.11 38.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.63 -3.08 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -26.77 8.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.49 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -58.11 -20.04 37.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.51 116.86 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.38 10.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.13 -53.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -66.96 -23.26 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -80.4 -33.52 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.6 t-20 -74.29 -38.97 63.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -33.8 76.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -81.31 -46.02 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 75.8 t80 -52.59 -39.64 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' ASN . 60.4 t -69.98 -50.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.37 80.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.73 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.07 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.79 -54.59 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -23.27 64.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mt -78.09 -35.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.08 -34.13 68.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.37 45.71 10.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -39.76 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.082 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.37 114.12 65.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.15 2.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -79.5 -178.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 150.02 23.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 4.2 t80 -53.37 -66.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.74 -53.71 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.615 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -48.87 -68.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.53 -43.04 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -42.01 81.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -50.62 -63.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -38.18 -54.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' HD11 ' A' ' 78' ' ' LEU . . . -45.9 -64.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.02 -43.5 4.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 4.7 m-85 -73.93 -32.33 63.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.641 ' NE2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 tt0 -63.66 -41.39 98.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.3 t -67.79 -40.43 83.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.5 tt0 -61.6 -57.35 12.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.62 -34.35 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.17 -67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -98.25 -59.42 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 139.32 163.23 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -79.34 55.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.623 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.4 m-20 -175.95 167.11 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 mt-10 166.05 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -28.91 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -50.66 3.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -71.6 139.18 49.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -139.29 155.79 72.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 -11.72 21.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.771 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.7 68.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -76.31 -44.39 37.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.843 HD13 ' H ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -41.23 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.843 ' H ' HD13 ' A' ' 72' ' ' LEU . 6.6 pt-20 -118.08 75.38 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -58.18 -27.64 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HA ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -67.21 -32.02 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -104.44 27.38 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 54' ' ' GLN . 3.3 m-85 -142.33 -44.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 51' ' ' ALA . 1.9 mp -96.04 161.27 27.82 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.3 26.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -49.03 -28.29 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -25.53 61.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 44' ' ' PHE . 2.3 m-85 -107.44 -35.2 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 75' ' ' LYS . 11.4 mt -39.9 -48.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -48.04 -50.59 27.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -60.84 -47.34 86.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 70.97 121.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -113.67 -94.49 2.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER 67.3 -73.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.263 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -45.0 -36.73 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -81.23 -43.61 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -41.57 -54.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -50.35 -38.09 40.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -54.38 -47.49 72.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.06 -42.61 76.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -57.35 -39.26 75.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.0 -27.83 69.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.79 -47.27 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -54.61 -53.95 47.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 108.334 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 -148.13 28.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.79 43.58 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.58 159.48 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.66 141.61 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.9 -35.6 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.43 -53.69 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.37 -24.52 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.31 34.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -71.72 -39.51 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.2 t -53.63 -58.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -59.08 -34.75 72.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.9 t80 -53.17 -34.19 55.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 24' ' ' LEU . 44.3 t -81.99 -55.28 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -54.22 -31.05 52.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.62 -53.33 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.82 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -60.27 -17.39 41.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -88.77 -29.68 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 46' ' ' LYS . 1.5 mm? -74.36 -42.26 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -52.88 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 137.98 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -94.49 172.4 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -123.06 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -51.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 65.22 93.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt 62.33 163.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -112.09 -179.78 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.71 117.76 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -158.48 170.29 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -160.27 168.97 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.43 110.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 46.63 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.05 127.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.16 117.29 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -165.6 31.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -75.85 -40.59 54.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -70.72 -8.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -112.91 -18.71 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -70.85 -37.1 73.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -56.57 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -61.29 111.8 4.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.2 Cg_endo -74.99 -23.66 13.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.83 -54.08 30.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.23 -23.91 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -79.87 -32.78 40.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -74.49 -39.14 62.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.721 HD21 HH12 ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.84 -42.73 60.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 110' ' ' TYR . 50.4 t80 -58.78 -39.13 80.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 25' ' ' ASN . 76.8 t -71.15 -53.52 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -45.77 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 114' ' ' ALA . . . -53.89 -51.47 63.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -54.33 45.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.2 t0 -44.96 -55.75 5.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.62 -43.88 26.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.36 -48.68 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -29.73 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.2 t-20 -65.73 -36.38 83.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.54 39.02 23.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -48.3 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.17 113.89 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG12 ' HB3' ' A' ' 117' ' ' LEU . 34.5 m -74.66 178.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.48 146.9 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 34.6 t80 -58.52 -54.69 44.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -57.53 -54.87 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.88 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.77 -50.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -47.43 79.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.551 ' OE1' HD22 ' A' ' 113' ' ' LEU . 1.6 tt0 -39.2 -47.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 95.7 m-85 -60.6 -53.11 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -43.18 -51.24 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.05 -54.77 24.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.2 m-85 -62.88 -46.0 89.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' CD ' ' CE2' ' A' ' 77' ' ' PHE . 14.7 tt0 -40.25 -55.82 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 67' ' ' HIS . 48.6 t -59.08 -42.94 91.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' GLY . 2.5 tm0? -58.66 -57.4 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.6 -31.59 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.27 -62.55 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -106.88 -57.92 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 134.69 172.95 12.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.467 ' CG ' ' HA ' ' A' ' 100' ' ' ASN . 18.2 Cg_endo -75.09 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -80.01 53.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -176.11 172.44 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.51 -34.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.88 -35.11 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -36.63 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' CE1' ' SG ' ' A' ' 55' ' ' CYS . 0.1 OUTLIER -71.51 119.44 15.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -129.01 148.49 69.19 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.668 ' HA ' HD12 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.99 -13.32 21.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.73 -53.88 3.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -41.65 -34.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.032 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 69' ' ' PRO . 12.3 mt -56.26 149.11 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -94.84 73.87 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.96 -52.31 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.79 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.6 t70 -112.43 39.96 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 1.9 m-85 -150.46 -44.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 ' HB2' HD23 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -105.9 162.22 20.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' GLU . 18.1 Cg_endo -75.01 124.81 8.9 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 tttt -39.32 -30.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.17 -60.41 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 44' ' ' PHE . 1.1 m-85 -75.75 -33.93 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.7 mm -40.47 -49.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -41.42 -49.2 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.7 mm-40 -67.75 -66.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 1.3 ttmt 80.99 133.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 58.28 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.64 -55.34 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -40.11 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -52.53 64.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 51' ' ' ALA . 76.0 mt -45.99 -59.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CE2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -42.93 -51.77 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -51.3 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.76 64.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.42 -38.61 84.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -66.78 -27.02 67.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.23 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -84.6 -42.11 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 47.0 t -54.73 -58.12 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.65 -148.46 30.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 61' ' ' PRO . 16.5 m120 -90.58 45.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.39 159.47 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.89 134.05 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -42.34 -47.22 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 103' ' ' GLU . 4.1 mm -59.98 -60.66 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.98 -25.91 5.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.88 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 17.5 ttmt -57.24 -41.92 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -53.49 -62.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -55.16 -32.63 62.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.804 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 2.2 t80 -58.39 -49.14 78.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 24' ' ' LEU . 73.0 t -64.17 -48.48 85.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -53.28 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.551 HD22 ' OE1' ' A' ' 49' ' ' GLU . 10.6 tp -55.55 -50.35 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.574 ' HB1' ' HB1' ' A' ' 31' ' ' ALA . . . -58.27 -40.8 82.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.721 HH12 HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.01 -3.93 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -35.51 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.537 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.8 mm? -66.16 -56.76 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -50.9 119.1 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.7 p -75.54 95.6 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -100.7 -53.28 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.428 ' C ' HG22 ' A' ' 2' ' ' THR . 16.1 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER 174.13 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.438 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.61 97.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.57 76.78 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 147.15 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -179.87 153.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.28 137.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 174.77 87.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -164.13 169.57 17.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 60.7 t80 54.92 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -179.41 170.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t 62.71 169.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.57 147.78 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.27 72.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' HA ' ' OG ' ' A' ' 18' ' ' SER . 4.9 p30 -82.77 -20.25 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' VAL . 2.4 t -65.87 -11.52 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -37.41 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 15' ' ' ASN . 21.9 p -88.3 8.45 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -42.73 76.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.26 113.2 56.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . 18.1 Cg_endo -75.04 -26.5 10.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.26 -55.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -65.3 -22.88 66.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 HG21 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -80.09 -33.23 38.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -74.52 -40.55 61.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -75.01 -44.1 49.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 24.1 t80 -53.42 -43.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.94 -50.42 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -49.1 76.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.17 25.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.06 -42.31 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.93 -46.97 79.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.72 -31.72 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 32' ' ' ARG . 10.4 mt -69.02 -46.05 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.24 -12.73 59.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.12 46.53 12.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -47.92 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.73 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.57 112.82 56.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.55 3.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.47 159.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 143.14 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.43 -35.86 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.58 -56.54 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -48.75 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -55.37 -47.64 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -21.88 64.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.34 -49.63 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE1' HD23 ' A' ' 113' ' ' LEU . 23.3 m-85 -56.33 -45.55 80.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -54.76 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.67 -43.3 6.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.512 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 4.8 m-85 -69.2 -33.32 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.93 -45.61 91.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.955 ' SG ' HD22 ' A' ' 72' ' ' LEU . 2.0 m -66.09 -32.81 74.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 108.316 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLY . 23.8 tm0? -70.78 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 106' ' ' ALA . 15.2 mt -54.49 -30.39 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -69.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.69 -50.96 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 125.41 -151.92 17.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -79.63 79.36 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 8.3 p30 -173.05 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -54.89 -19.52 6.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -15.17 31.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -110.2 -69.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 163.14 17.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 157.42 71.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.11 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -27.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.955 HD22 ' SG ' ' A' ' 55' ' ' CYS . 3.2 mt -49.46 152.81 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.37 75.96 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -49.95 -23.68 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.78 -28.55 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -105.04 29.16 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' ' SG ' ' A' ' 55' ' ' CYS . 16.6 m-85 -133.46 -55.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.842 HD23 ' CD2' ' A' ' 82' ' ' TYR . 2.1 mp -98.74 167.26 11.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.71 30.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.24 -48.38 45.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -38.07 -31.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.842 ' CD2' HD23 ' A' ' 78' ' ' LEU . 7.4 m-85 -96.64 -48.01 5.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 75' ' ' LYS . 3.5 mt -39.76 -31.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -92.15 49.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER 179.82 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.636 ' HA ' HD11 ' A' ' 74' ' ' LEU . 40.4 mttt 67.96 146.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.81 44.92 1.0 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.04 -53.07 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -26.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.83 10.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.73 -37.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' HIS . 2.5 m-85 -46.98 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtt -41.7 -52.85 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.67 -37.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' PHE . 3.4 t-160 -72.68 -40.64 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -61.29 -43.47 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.08 -57.5 5.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.7 t -51.71 -47.78 63.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' MET . . . -47.04 163.74 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -64.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' GLY . 26.3 ttp -41.61 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 141.91 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -53.98 -37.02 63.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' LYS . 10.7 mm -65.86 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -46.11 -25.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 98' ' ' CYS . . . -79.75 -42.55 24.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' ILE . 22.1 ttmt -67.29 -37.95 84.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 t -55.37 -59.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -35.02 35.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.14 -47.99 79.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 27' ' ' LEU . 76.8 t -73.46 -52.63 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -50.15 -52.34 36.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 116' ' ' SER . 38.9 tp -55.77 -61.84 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.52 -55.77 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -17.41 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.3 t -82.44 -42.99 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.51 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -46.0 142.81 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.9 t -107.39 -31.08 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.64 157.16 18.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.977 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 3' ' ' LEU . 3.3 t -46.88 -49.23 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 2' ' ' THR . 1.1 pp -161.08 157.61 26.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.8 -65.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.14 88.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.8 112.3 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.71 107.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -164.35 102.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -37.52 -51.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.2 164.25 26.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -140.86 175.53 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 69.02 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.956 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.3 t0 75.94 152.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 47.14 26.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.424 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 3.4 p30 -83.12 -27.15 30.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.59 -8.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 18' ' ' SER . 2.2 p30 -113.9 -43.21 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 16.0 p -43.14 -40.99 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -51.03 65.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.35 117.29 66.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.56 11.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.6 -52.04 62.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.29 -26.13 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -76.82 -40.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.5 t-20 -68.38 -36.17 78.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -37.23 86.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -58.6 3.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 85.5 t80 -41.43 -35.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 25' ' ' ASN . 97.7 t -73.92 -58.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.13 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.48 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 110' ' ' TYR . 8.1 tpt180 -70.08 -49.89 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.6 t70 -53.54 -49.3 67.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -35.66 62.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.91 -51.22 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -28.02 69.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ASP . 1.3 t-20 -70.93 -35.67 72.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.42 39.81 17.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -55.23 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.39 114.78 48.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.557 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.33 2.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.05 -176.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.81 148.71 25.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -58.45 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -44.76 -57.53 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.52 -52.66 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -44.98 86.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -39.76 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CE2' HD23 ' A' ' 113' ' ' LEU . 87.1 m-85 -61.56 -51.58 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -41.98 -38.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.64 -50.95 51.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' ILE . 7.8 m-85 -73.32 -3.51 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG2' ' CE2' ' A' ' 77' ' ' PHE . 2.1 tp-100 -83.73 -51.53 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.92 ' SG ' HD21 ' A' ' 72' ' ' LEU . 11.7 t -65.1 -32.21 73.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' OE1' ' CB ' ' A' ' 106' ' ' ALA . 8.6 tm0? -65.63 -59.13 4.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' TYR . 34.2 mt -55.29 -28.78 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -71.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -99.66 -51.46 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 133.65 177.12 14.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.45 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -79.88 54.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.14 141.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.99 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -26.18 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -61.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.65 143.29 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -136.7 155.45 76.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' PHE . 18.2 Cg_endo -74.94 61.73 5.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.36 -44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -65.98 -17.86 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.92 HD21 ' SG ' ' A' ' 55' ' ' CYS . 7.9 mt -68.64 143.62 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' ASP . 9.9 tt0 -77.0 68.04 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -44.79 -48.05 10.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -54.32 -35.26 62.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' GLU . 15.1 t0 -112.61 40.32 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -141.09 -44.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 51' ' ' ALA . 3.1 mm? -115.39 163.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -74.98 131.89 14.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.78 -30.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.456 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -59.28 -60.14 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' PRO . 21.1 m-30 -76.25 -32.89 59.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.625 HD11 ' O ' ' A' ' 78' ' ' LEU . 1.5 mm -42.02 -53.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.55 -42.69 24.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -63.19 -52.94 60.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mttt 69.68 114.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -95.97 -72.36 1.13 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' GLY . 2.2 mtt-85 -50.24 -35.68 27.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.84 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.487 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.1 mt -42.34 -58.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -47.43 -51.92 18.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -45.08 15.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.06 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.88 -40.63 95.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.655 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -25.53 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.87 -43.94 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 44.4 t -49.84 -59.94 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.85 -150.68 29.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.91 45.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.72 161.6 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.67 147.15 30.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -49.83 -35.8 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.9 mm -75.44 -54.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.24 -24.7 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . . . -83.32 -40.2 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -63.97 -41.35 97.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 24' ' ' LEU . 2.3 t -58.65 -60.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -47.14 -38.51 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 50' ' ' PHE . 4.0 t80 -59.23 -51.03 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.67 -50.2 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' SER . 4.5 mmmt -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' CE2' ' A' ' 50' ' ' PHE . 39.3 tp -64.96 -58.26 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.47 83.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -6.95 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 112' ' ' LYS . 6.7 t -96.3 -25.49 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 113' ' ' LEU . 4.2 mm? -72.23 -68.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 103.16 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -126.94 146.71 50.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -77.39 -51.93 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -137.5 131.8 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.6 160.88 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.49 145.56 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -47.72 110.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -129.1 -48.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -174.23 168.09 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 142.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -177.78 131.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER 58.62 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 33.8 m-85 -166.1 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m 64.79 119.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.35 161.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.81 39.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -93.63 -25.93 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.38 -10.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.88 -36.45 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -60.77 -25.14 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.52 70.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.27 108.41 54.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.22 7.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.44 -56.46 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -21.39 62.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -79.87 -39.85 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.646 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -68.62 -37.2 79.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 HG13 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -77.22 -39.84 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 48.4 t80 -58.23 -36.35 73.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ASN . 90.1 t -73.38 -50.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.12 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.19 -48.56 79.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -55.7 -48.3 75.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.13 -38.97 19.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 32' ' ' ARG . 51.3 mt -67.14 -54.98 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -57.81 -32.55 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -62.87 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 37.8 27.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.562 1.164 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -96.27 -42.93 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.35 113.06 64.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.625 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.97 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 117' ' ' LEU . 5.1 m -79.62 124.83 38.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' PHE . 63.9 p -38.79 123.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' SER . 59.5 t80 -36.9 -53.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.79 -54.25 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.4 mmpt? -61.66 -58.05 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -42.84 -39.54 2.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.87 -48.85 77.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -39.61 -45.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -60.83 -59.11 5.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 91' ' ' ILE . . . -40.54 -60.24 1.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.37 15.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' ' SG ' ' A' ' 98' ' ' CYS . 3.8 m-30 -64.46 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 7.5 tt0 -53.43 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.4 t -42.76 -49.12 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -55.1 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.431 HG21 ' HE3' ' A' ' 107' ' ' LYS . 50.2 mt -50.79 -30.71 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -68.94 -76.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -88.09 -53.99 4.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' GLN . . . 120.25 -172.32 14.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.22 15.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 36.6 t60 -79.94 53.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.568 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -176.18 160.3 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 2.7 mt-10 166.55 -61.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.01 -37.95 86.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -87.9 -48.0 8.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -66.31 164.66 15.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.6 154.3 27.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -75.01 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.34 -47.97 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.36 -27.45 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 69' ' ' PRO . 5.7 mt -59.52 151.71 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -87.77 71.77 9.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 83' ' ' ILE . 1.2 mp -47.03 -47.74 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.46 -33.35 14.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 7.0 t0 -112.8 38.72 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -143.43 -52.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.94 167.04 9.72 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLU . 18.4 Cg_endo -75.04 130.67 13.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 1.2 tttt -40.78 -28.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -58.82 -60.58 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' GLN . 9.4 m-85 -75.67 -32.16 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.8 mm -44.75 -42.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -38.27 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -71.5 -65.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER 83.88 138.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.66 85.09 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.03 -35.73 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -14.83 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -52.61 4.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 51' ' ' ALA . 25.7 mt -51.16 -63.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -38.46 -59.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.0 mtp -42.49 -47.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.89 88.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -54.43 -34.6 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -60.9 -44.9 96.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.556 ' SG ' ' CD1' ' A' ' 53' ' ' TYR . 2.0 t -51.61 -33.89 35.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 100' ' ' ASN . . . -45.84 138.35 6.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.0 m120 85.12 -45.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.6 ttm -51.21 153.01 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 143.03 51.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -36.32 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.0 mm -69.86 -56.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -48.31 -40.21 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.96 85.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -63.05 -40.6 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.693 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.3 t -56.36 -52.59 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 4.9 mtp180 -63.28 -31.0 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CD1' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -56.26 -36.92 69.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 27' ' ' LEU . 32.3 t -79.36 -62.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -38.66 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.596 HD22 ' OE1' ' A' ' 49' ' ' GLU . 62.6 tp -60.82 -58.85 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.46 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -77.59 -13.73 59.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.95 -15.92 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.646 ' HB3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -85.78 -36.05 20.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -71.06 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.3 t -123.86 -41.47 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.7 118.41 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.998 . . . . . . . . 0 0 . 1 stop_ save_